复杂体系的动力学研究

Ø        凝聚相体系的量子动力学

Ø        光电功能有机纳米结构的理论研究

Ø        生物大分子构象变化的动力学

   

中国科学技术大学 --20001201 研究生毕业

   

   

[1] Journal of Chemical Physics. 2024, 第 3 作者  通讯作者  
[2] Journal of Physical Chemistry B. 2024, 第 3 作者  通讯作者  
[3] Accounts of Chemical Research. 2024, 第 4 作者  通讯作者  
[4] Journal of Chemical Physics. 2024, 第 5 作者  通讯作者  
[5] Dan, Xiaohan, Xu, Meng, Stockburger, J T, Ankerhold, J, Shi, Qiang. Efficient low-temperature simulations for fermionic reservoirs with the hierarchical equations of motion method: Application to the Anderson impurity model. PHYSICAL REVIEW B[J]. 2023, 第 5 作者  通讯作者  107(19): http://dx.doi.org/10.1103/PhysRevB.107.195429.
[6] Leng, Xuan, Yan, Yaming, Zhu, Ruidan, Zou, Jiading, Zhang, Wenzhao, Shi, Qiang. Revealing Intermolecular Electronic and Vibronic Coherence with Polarization-Dependent Two-Dimensional Beating Maps. JOURNAL OF PHYSICAL CHEMISTRY LETTERS. 2023, 第 6 作者  通讯作者  838-845, http://dx.doi.org/10.1021/acs.jpclett.2c03413.
[7] Dan, Xiaohan, Shi, Qiang. Theoretical study of nonadiabatic hydrogen atom scattering dynamics on metal surfaces using the hierarchical equations of motion method. JOURNAL OF CHEMICAL PHYSICS[J]. 2023, 第 2 作者  通讯作者  159(4): 044101, http://dx.doi.org/10.1063/5.0155172.
[8] Dan, Xiaohan, Xu, Meng, Stockburger, J T, Ankerhold, J, Shi, Qiang. Efficient low-temperature simulations for fermionic reservoirs with the hierarchical equations of motion method: Application to the Anderson impurity model. PHYSICAL REVIEW B[J]. 2023, 第 11 作者107(19): http://dx.doi.org/10.1103/PhysRevB.107.195429.
[9] Leng, Xuan, Yan, Yaming, Zhu, Ruidan, Zou, Jiading, Zhang, Wenzhao, Shi, Qiang. Revealing Intermolecular Electronic and Vibronic Coherence with Polarization-Dependent Two-Dimensional Beating Maps. JOURNAL OF PHYSICAL CHEMISTRY LETTERS. 2023, 第 11 作者838-845, 
[10] Dan, Xiaohan, Shi, Qiang. Theoretical study of nonadiabatic hydrogen atom scattering dynamics on metal surfaces using the hierarchical equations of motion method. JOURNAL OF CHEMICAL PHYSICS[J]. 2023, 第 11 作者159(4): 044101, http://dx.doi.org/10.1063/5.0155172.
[11] 陈嘉颖, 马彤梅, 白书明, 史强. 光敏化反应生成单线态氧的电子耦合计算及共分子轨道重叠描述. 化学物理学报[J]. 2022, 第 4 作者  通讯作者  35(1): 219-226, http://lib.cqvip.com/Qikan/Article/Detail?id=7107044708.
[12] 幸韬, 李天楚, 柳燕莺, 史强. 基于相空间级联运动方程的混合量子经典反应速率理论. 化学物理学报(英文)[J]. 2022, 第 4 作者35(5): 727-737, http://lib.cqvip.com/Qikan/Article/Detail?id=7108327445.
[13] Xu, Meng, Yan, Yaming, Shi, Qiang, Ankerhold, J, Stockburger, J T. Taming quantum noise for efficient low temperature simulations of open quantum systems. PHYSICAL REVIEW LETTERS[J]. 2022, 第 3 作者  通讯作者  http://arxiv.org/abs/2202.04059.
[14] Dan, Xiaohan, Xu, Meng, Yan, Yaming, Shi, Qiang. Generalized master equation for charge transport in a molecular junction: Exact memory kernels and their high order expansion. JOURNAL OF CHEMICAL PHYSICS[J]. 2022, 第 4 作者  通讯作者  156(13): http://dx.doi.org/10.1063/5.0086663.
[15] 幸韬, 李天楚, 柳燕莺, 史强. Mixed Quantum Classical Reaction Rates based on the Phase Space Formulation of the Hierarchical Equations of Motion. 化学物理学报[J]. 2022, 第 4 作者  通讯作者  35(5): 727-737, 
[16] Xing, Tao, Li, Tianchu, Yan, Yaming, Bai, Shuming, Shi, Qiang. Application of the imaginary time hierarchical equations of motion method to calculate real time correlation functions. JOURNAL OF CHEMICAL PHYSICS[J]. 2022, 第 5 作者  通讯作者  156(24): http://dx.doi.org/10.1063/5.0095790.
[17] 陈嘉颖, 马彤梅, 白书明, 史强. ������������������������������������������������������������������������������������. 化学物理学报[J]. 2022, 第 11 作者35(1): 219-226, http://lib.cqvip.com/Qikan/Article/Detail?id=7107044708.
[18] 幸韬, 李天楚, 柳燕莺, 史强. ������������������������������������������������������������������������. 化学物理学报(英文). 2022, 第 4 作者35(5): 727-737, http://lib.cqvip.com/Qikan/Article/Detail?id=7108327445.
[19] Xu, Meng, Yan, Yaming, Shi, Qiang, Ankerhold, J, Stockburger, J T. Taming quantum noise for efficient low temperature simulations of open quantum systems. PHYSICAL REVIEW LETTERS[J]. 2022, 第 11 作者http://arxiv.org/abs/2202.04059.
[20] Dan, Xiaohan, Xu, Meng, Yan, Yaming, Shi, Qiang. Generalized master equation for charge transport in a molecular junction: Exact memory kernels and their high order expansion. JOURNAL OF CHEMICAL PHYSICS[J]. 2022, 第 11 作者156(13): http://dx.doi.org/10.1063/5.0086663.
[21] 幸韬, 李天楚, 柳燕莺, 史强. Mixed Quantum Classical Reaction Rates based on the Phase Space Formulation of the Hierarchical Equations of Motion. 化学物理学报[J]. 2022, 第 11 作者35(5): 727-737, 
[22] Xing, Tao, Li, Tianchu, Yan, Yaming, Bai, Shuming, Shi, Qiang. Application of the imaginary time hierarchical equations of motion method to calculate real time correlation functions. JOURNAL OF CHEMICAL PHYSICS[J]. 2022, 第 11 作者156(24): http://dx.doi.org/10.1063/5.0095790.
[23] Bao, Peng, Hettich, Christian P, Shi, Qiang, Gao, Jiali. Block-Localized Excitation for Excimer Complex and Diabatic Coupling. JOURNAL OF CHEMICAL THEORY AND COMPUTATION[J]. 2021, 第 3 作者  通讯作者  17(1): 240-254, http://dx.doi.org/10.1021/acs.jctc.0c01015.
[24] Liu, Yanying, Yan, Yaming, Xing, Tao, Shi, Qiang. Understanding the Large Kinetic Isotope Effect of Hydrogen Tunneling in Condensed Phases by Using Double-Well Model Systems. JOURNAL OF PHYSICAL CHEMISTRY B[J]. 2021, 第 4 作者  通讯作者  125(22): 5959-5970, http://dx.doi.org/10.1021/acs.jpcb.1c02851.
[25] Yan, Yaming, Liu, Yanying, Xing, Tao, Shi, Qiang. Theoretical study of excitation energy transfer and nonlinear spectroscopy of photosynthetic light-harvesting complexes using the nonperturbative reduced dynamics method. WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE. 2021, 第 4 作者  通讯作者  11(3): http://dx.doi.org/10.1002/wcms.1498.
[26] Yan, Yaming, Xu, Meng, Li, Tianchu, Shi, Qiang. Efficient propagation of the hierarchical equations of motion using the Tucker and hierarchical Tucker tensors. JOURNAL OF CHEMICAL PHYSICS[J]. 2021, 第 4 作者  通讯作者  154(19): http://dx.doi.org/10.1063/5.0050720.
[27] Bao, Peng, Hettich, Christian P, Shi, Qiang, Gao, Jiali. Block-Localized Excitation for Excimer Complex and Diabatic Coupling. JOURNAL OF CHEMICAL THEORY AND COMPUTATION[J]. 2021, 第 11 作者17(1): 240-254, http://dx.doi.org/10.1021/acs.jctc.0c01015.
[28] Liu, Yanying, Yan, Yaming, Xing, Tao, Shi, Qiang. Understanding the Large Kinetic Isotope Effect of Hydrogen Tunneling in Condensed Phases by Using Double-Well Model Systems. JOURNAL OF PHYSICAL CHEMISTRY B[J]. 2021, 第 11 作者125(22): 5959-5970, http://dx.doi.org/10.1021/acs.jpcb.1c02851.
[29] Yan, Yaming, Liu, Yanying, Xing, Tao, Shi, Qiang. Theoretical study of excitation energy transfer and nonlinear spectroscopy of photosynthetic light-harvesting complexes using the nonperturbative reduced dynamics method. WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE. 2021, 第 11 作者11(3): http://dx.doi.org/10.1002/wcms.1498.
[30] Yan, Yaming, Xu, Meng, Li, Tianchu, Shi, Qiang. Efficient propagation of the hierarchical equations of motion using the Tucker and hierarchical Tucker tensors. JOURNAL OF CHEMICAL PHYSICS[J]. 2021, 第 11 作者154(19): http://dx.doi.org/10.1063/5.0050720.
[31] Ediger, Mark D, Jensen, Lasse, Manolopoulos, David E, Martinez, Todd J, Michaelides, Angelos, Reichman, David R, Sherrill, C David, Shi, Qiang, Straub, John E, Vega, Carlos, Wang, LaiSheng, Brigham, Erinn C, Lian, Tianquan. JCP Emerging Investigator Special Collection 2019. JOURNAL OF CHEMICAL PHYSICS. 2020, 第 8 作者153(11): http://dx.doi.org/10.1063/5.0021946.
[32] Zhu, Weigang, Zhang, Dezhong, Bai, Shuming, Shi, Qiang, Hu, Wenping, Fu, Hongbing. Template-Assisted Electrochemical Deposition for Organic and Hybrid Nanowire Electronics. ADVANCED OPTICAL MATERIALS[J]. 2020, 第 4 作者8(18): https://www.webofscience.com/wos/woscc/full-record/WOS:000545401800001.
[33] Yan, Yaming, Xing, Tao, Shi, Qiang. A new method to improve the numerical stability of the hierarchical equations of motion for discrete harmonic oscillator modes. JOURNAL OF CHEMICAL PHYSICS[J]. 2020, 第 3 作者  通讯作者  153(20): http://dx.doi.org/10.1063/5.0027962.
[34] Zhu, Weigang, Sun, Yajing, Liu, Jie, Bai, Shuming, Zhang, Zhicheng, Shi, Qiang, Hu, Wenping, Fu, Hongbing. Exciton Transport in Molecular Semiconductor Crystals for Spin-Optoelectronics Paradigm. CHEMISTRY-A EUROPEAN JOURNAL. 2020, 第 6 作者27(1): https://www.webofscience.com/wos/woscc/full-record/WOS:000596562000001.
[35] Ediger, Mark D, Jensen, Lasse, Manolopoulos, David E, Martinez, Todd J, Michaelides, Angelos, Reichman, David R, Sherrill, C David, Shi, Qiang, Straub, John E, Vega, Carlos, Wang, LaiSheng, Brigham, Erinn C, Lian, Tianquan. JCP Emerging Investigator Special Collection 2019. JOURNAL OF CHEMICAL PHYSICS. 2020, 第 8 作者153(11): http://dx.doi.org/10.1063/5.0021946.
[36] Zhu, Weigang, Zhang, Dezhong, Bai, Shuming, Shi, Qiang, Hu, Wenping, Fu, Hongbing. Template-Assisted Electrochemical Deposition for Organic and Hybrid Nanowire Electronics. ADVANCED OPTICAL MATERIALS[J]. 2020, 第 4 作者8(18): https://www.webofscience.com/wos/woscc/full-record/WOS:000545401800001.
[37] Yan, Yaming, Xing, Tao, Shi, Qiang. A new method to improve the numerical stability of the hierarchical equations of motion for discrete harmonic oscillator modes. JOURNAL OF CHEMICAL PHYSICS[J]. 2020, 第 11 作者153(20): http://dx.doi.org/10.1063/5.0027962.
[38] Zhu, Weigang, Sun, Yajing, Liu, Jie, Bai, Shuming, Zhang, Zhicheng, Shi, Qiang, Hu, Wenping, Fu, Hongbing. Exciton Transport in Molecular Semiconductor Crystals for Spin-Optoelectronics Paradigm. CHEMISTRY-A EUROPEAN JOURNAL. 2020, 第 6 作者27(1): https://www.webofscience.com/wos/woscc/full-record/WOS:000596562000001.
[39] Yan, Yaming, Xu, Meng, Liu, Yanying, Shi, Qiang. Theoretical study of charge carrier transport in organic molecular crystals using the Nakajima-Zwanzig-Mori generalized master equation. JOURNAL OF CHEMICAL PHYSICS[J]. 2019, 第 4 作者  通讯作者  150(23): 
[40] Zhou, HeYe, Han, Ying, Shi, Qiang, Chen, ChuanFeng. A Triply Operable Molecular Switch: Anion-, Acid/Base- and Solvent-Responsive 2Rotaxane. EUROPEAN JOURNAL OF ORGANIC CHEMISTRY[J]. 2019, 第 3 作者2019(21): 3406-3411, https://www.webofscience.com/wos/woscc/full-record/WOS:000471077100011.
[41] Xu, Yang, Bao, Peng, Song, Kai, Shi, Qiang. Theoretical Study of Proton Coupled Electron Transfer Reaction in the Light State of the AppA BLUF Photoreceptor. JOURNAL OF COMPUTATIONAL CHEMISTRY[J]. 2019, 第 4 作者  通讯作者  40(9): 1005-1014, http://dx.doi.org/10.1002/jcc.25561.
[42] Xu, Meng, Liu, Yanying, Song, Kai, Shi, Qiang. A non-perturbative approach to simulate heterogeneous electron transfer dynamics: Effective mode treatment of the continuum electronic states. JOURNAL OF CHEMICAL PHYSICS[J]. 2019, 第 4 作者  通讯作者  150(4): 
[43] Li, Jing, Shi, Qiang, Han, Ying, Chen, ChuanFeng. Complexation of 2,6-helic6arene and its derivatives with 1,1 '-dimethyl-4,4 '-bipyridinium salts and protonated 4,4 '-bipyridinium salts: an acid-base controllable complexation. BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY[J]. 2019, 第 2 作者15(1): 1795-1804, https://doaj.org/article/d1f4947785c5400495a1f327ec049bd8.
[44] Yan, Yaming, Xu, Meng, Liu, Yanying, Shi, Qiang. Theoretical study of charge carrier transport in organic molecular crystals using the Nakajima-Zwanzig-Mori generalized master equation. JOURNAL OF CHEMICAL PHYSICS[J]. 2019, 第 11 作者150(23): 
[45] Zhou, HeYe, Han, Ying, Shi, Qiang, Chen, ChuanFeng. A Triply Operable Molecular Switch: Anion-, Acid/Base- and Solvent-Responsive 2Rotaxane. EUROPEAN JOURNAL OF ORGANIC CHEMISTRY[J]. 2019, 第 3 作者2019(21): 3406-3411, https://www.webofscience.com/wos/woscc/full-record/WOS:000471077100011.
[46] Xu, Yang, Bao, Peng, Song, Kai, Shi, Qiang. Theoretical Study of Proton Coupled Electron Transfer Reaction in the Light State of the AppA BLUF Photoreceptor. JOURNAL OF COMPUTATIONAL CHEMISTRY[J]. 2019, 第 11 作者40(9): 1005-1014, https://www.webofscience.com/wos/woscc/full-record/WOS:000459346700007.
[47] Xu, Meng, Liu, Yanying, Song, Kai, Shi, Qiang. A non-perturbative approach to simulate heterogeneous electron transfer dynamics: Effective mode treatment of the continuum electronic states. JOURNAL OF CHEMICAL PHYSICS[J]. 2019, 第 11 作者150(4): 
[48] Li, Jing, Shi, Qiang, Han, Ying, Chen, ChuanFeng. Complexation of 2,6-helic6arene and its derivatives with 1,1 '-dimethyl-4,4 '-bipyridinium salts and protonated 4,4 '-bipyridinium salts: an acid-base controllable complexation. BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY[J]. 2019, 第 2 作者15(1): 1795-1804, https://doaj.org/article/d1f4947785c5400495a1f327ec049bd8.
[49] Shi Qiang. Exact generator and its high order expansions in time-convolutionless generalized master equation: Applications to spin-boson model and excitation energy transfer. Chin. J. Chem. Phys.. 2018, 第 1 作者  通讯作者  
[50] Shi, Qiang, Meng, Zheng, Xiang, JunFeng, Chen, ChuanFeng. Efficient control of movement in non-photoresponsive molecular machines by a photo-induced proton-transfer strategy. CHEMICAL COMMUNICATIONS[J]. 2018, 第 1 作者54(28): 3536-3539, https://www.webofscience.com/wos/woscc/full-record/WOS:000429024000027.
[51] Yan Yaming, Song Linze, Shi Qiang. Understanding the free energy barrier and multiple timescale dynamics of charge separation in organic photovoltaic cells.. THE JOURNAL OF CHEMICAL PHYSICS. 2018, 第 3 作者
[52] Sun, MengJia, Liu, Yingying, Yan, Yaming, Li, Rui, Shi, Qiang, Zhao, Yong Sheng, Zhong, YuWu, Yao, Jiannian. In Situ Visualization of Assembly and Photonic Signal Processing in a Triplet Light-Harvesting Nanosystem. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2018, 第 5 作者  通讯作者  140(12): 4269-4278, http://dx.doi.org/10.1021/jacs.7b12519.
[53] Xu, Meng, Yan, Yaming, Liu, Yanying, Shi, Qiang. Convergence of high order memory kernels in the Nakajima-Zwanzig generalized master equation and rate constants: Case study of the spin-boson model. JOURNAL OF CHEMICAL PHYSICS[J]. 2018, 第 4 作者  通讯作者  148(16): http://dx.doi.org/10.1063/1.5022761.
[54] Xu, Yang, Song, Kai, Shi, Qiang. Mixed quantum-classical simulation of the hydride transfer reaction catalyzed by dihydrofolate reductase based on a mapped system-harmonic bath model. JOURNAL OF CHEMICAL PHYSICS[J]. 2018, 第 3 作者  通讯作者  148(10): http://dx.doi.org/10.1063/1.4990515.
[55] Shi, Qiang, Xu, Yang, Yan, Yaming, Xu, Meng. Efficient propagation of the hierarchical equations of motion using the matrix product state method. JOURNAL OF CHEMICAL PHYSICS[J]. 2018, 第 1 作者  通讯作者  148(17): https://www.webofscience.com/wos/woscc/full-record/WOS:000431685500004.
[56] Leng, Xuan, Yan, YaMing, Zhu, RuiDan, Song, Kai, Weng, YuXiang, Shi, Qiang. Simulation of the Two-Dimensional Electronic Spectroscopy and Energy Transfer Dynamics of Light-Harvesting Complex II at Ambient Temperature. JOURNAL OF PHYSICAL CHEMISTRY B[J]. 2018, 第 6 作者  通讯作者  122(17): 4642-4652, https://www.webofscience.com/wos/woscc/full-record/WOS:000431723800004.
[57] 闫亚明, 包鹏, 史强. 关于自主知识产权计算化学软件发展的一些思考. 中国科学基金[J]. 2018, 第 3 作者32(1): 107-108, http://lib.cqvip.com/Qikan/Article/Detail?id=674403042.
[58] Zheng, Renhui, Wei, Wenmei, Xu, Meng, Shi, Qiang. Sum-frequency vibrational spectroscopy of limonene chiral liquids due to the nonadiabatic effect. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2018, 第 4 作者  通讯作者  20(10): 7053-7058, http://dx.doi.org/10.1039/c7cp08473k.
[59] Shi Qiang. Exact generator and its high order expansions in time-convolutionless generalized master equation: Applications to spin-boson model and excitation energy transfer. Chin. J. Chem. Phys.. 2018, 第 11 作者
[60] Shi, Qiang, Meng, Zheng, Xiang, JunFeng, Chen, ChuanFeng. Efficient control of movement in non-photoresponsive molecular machines by a photo-induced proton-transfer strategy. CHEMICAL COMMUNICATIONS[J]. 2018, 第 1 作者54(28): 3536-3539, https://www.webofscience.com/wos/woscc/full-record/WOS:000429024000027.
[61] Yan Yaming, Song Linze, Shi Qiang. Understanding the free energy barrier and multiple timescale dynamics of charge separation in organic photovoltaic cells.. THE JOURNAL OF CHEMICAL PHYSICS. 2018, 第 3 作者
[62] Sun, MengJia, Liu, Yingying, Yan, Yaming, Li, Rui, Shi, Qiang, Zhao, Yong Sheng, Zhong, YuWu, Yao, Jiannian. In Situ Visualization of Assembly and Photonic Signal Processing in a Triplet Light-Harvesting Nanosystem. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2018, 第 11 作者140(12): 4269-4278, http://dx.doi.org/10.1021/jacs.7b12519.
[63] Xu, Meng, Yan, Yaming, Liu, Yanying, Shi, Qiang. Convergence of high order memory kernels in the Nakajima-Zwanzig generalized master equation and rate constants: Case study of the spin-boson model. JOURNAL OF CHEMICAL PHYSICS[J]. 2018, 第 11 作者148(16): http://dx.doi.org/10.1063/1.5022761.
[64] Shi, Qiang, Xu, Yang, Yan, Yaming, Xu, Meng. Efficient propagation of the hierarchical equations of motion using the matrix product state method. JOURNAL OF CHEMICAL PHYSICS[J]. 2018, 第 11 作者148(17): https://www.webofscience.com/wos/woscc/full-record/WOS:000431685500004.
[65] Xu, Yang, Song, Kai, Shi, Qiang. Mixed quantum-classical simulation of the hydride transfer reaction catalyzed by dihydrofolate reductase based on a mapped system-harmonic bath model. JOURNAL OF CHEMICAL PHYSICS[J]. 2018, 第 11 作者148(10): https://www.webofscience.com/wos/woscc/full-record/WOS:000427517200026.
[66] Leng, Xuan, Yan, YaMing, Zhu, RuiDan, Song, Kai, Weng, YuXiang, Shi, Qiang. Simulation of the Two-Dimensional Electronic Spectroscopy and Energy Transfer Dynamics of Light-Harvesting Complex II at Ambient Temperature. JOURNAL OF PHYSICAL CHEMISTRY B[J]. 2018, 第 11 作者122(17): 4642-4652, https://www.webofscience.com/wos/woscc/full-record/WOS:000431723800004.
[67] 闫亚明, 包鹏, 史强. ���������������������������������������������������������������. 中国科学基金[J]. 2018, 第 3 作者32(1): 107-108, http://lib.cqvip.com/Qikan/Article/Detail?id=674403042.
[68] Zheng, Renhui, Wei, Wenmei, Xu, Meng, Shi, Qiang. Sum-frequency vibrational spectroscopy of limonene chiral liquids due to the nonadiabatic effect. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2018, 第 11 作者20(10): 7053-7058, 
[69] Leng, Xuan, Yue, Shuai, Weng, YuXiang, Song, Kai, Shi, Qiang. Effects of finite laser pulse width on two-dimensional electronic spectroscopy. CHEMICAL PHYSICS LETTERS[J]. 2017, 第 5 作者667: 79-86, http://dx.doi.org/10.1016/j.cplett.2016.11.030.
[70] Xu, Meng, Song, Linze, Song, Kai, Shi, Qiang. Convergence of high order perturbative expansions in open system quantum dynamics. JOURNAL OF CHEMICAL PHYSICS[J]. 2017, 第 4 作者  通讯作者  146(6): https://www.webofscience.com/wos/woscc/full-record/WOS:000394577400002.
[71] Li, Wenqiang, Zhu, Lili, Shi, Qiang, Ren, Jiajun, Peng, Qian, Shuai, Zhigang. Excitonic coupling effect on the nonradiative decay rate in molecular aggregates: Formalism and application. CHEMICAL PHYSICS LETTERS[J]. 2017, 第 3 作者683: 507-514, http://dx.doi.org/10.1016/j.cplett.2017.03.077.
[72] Song, Kai, Shi, Qiang. Theoretical study of photoinduced proton coupled electron transfer reaction using the non-perturbative hierarchical equations of motion method. JOURNAL OF CHEMICAL PHYSICS[J]. 2017, 第 2 作者  通讯作者  146(18): https://www.webofscience.com/wos/woscc/full-record/WOS:000401368900011.
[73] Song, Linze, Shi, Qiang. Hierarchical equations of motion method applied to nonequilibrium heat transport in model molecular junctions: Transient heat current and high-order moments of the current operator. PHYSICAL REVIEW B[J]. 2017, 第 2 作者  通讯作者  95(6): https://www.webofscience.com/wos/woscc/full-record/WOS:000394657300007.
[74] Zhang, GengWu, Shi, Qiang, Chen, ChuanFeng. Formation of charge-transfer complexes based on a tropylium cation and 2,6-helic6arenes: a visible redox stimulus-responsive process. CHEMICAL COMMUNICATIONS[J]. 2017, 第 2 作者53(17): 2582-2585, https://www.webofscience.com/wos/woscc/full-record/WOS:000395873100012.
[75] Shi, Qiang, Han, Ying, Chen, ChuanFeng. Complexation Between (O-Methyl)(6)-2,6-Helic6arene and Tertiary Ammonium Salts: Acid/Base- or Chloride-Ion-Responsive Host-Guest Systems and Synthesis of 2Rotaxane. CHEMISTRY-AN ASIAN JOURNAL[J]. 2017, 第 1 作者12(19): 2576-2582, https://www.webofscience.com/wos/woscc/full-record/WOS:000412325700014.
[76] Zhao, Weiwei, Song, Kai, Chen, Yao, Wang, Hua, Liu, Zhang, Shi, Qiang, Huang, Jianbin, Wang, Yilin. Aggregation of a Cationic Gemini Surfactant with a Chelating Molecule and Effects from Calcium Ions. LANGMUIR[J]. 2017, 第 6 作者33(44): 12719-12728, http://dx.doi.org/10.1021/acs.langmuir.7b03137.
[77] Leng, Xuan, Yue, Shuai, Weng, YuXiang, Song, Kai, Shi, Qiang. Effects of finite laser pulse width on two-dimensional electronic spectroscopy. CHEMICAL PHYSICS LETTERS[J]. 2017, 第 5 作者667: 79-86, http://dx.doi.org/10.1016/j.cplett.2016.11.030.
[78] Xu, Meng, Song, Linze, Song, Kai, Shi, Qiang. Convergence of high order perturbative expansions in open system quantum dynamics. JOURNAL OF CHEMICAL PHYSICS[J]. 2017, 第 11 作者146(6): https://www.webofscience.com/wos/woscc/full-record/WOS:000394577400002.
[79] Li, Wenqiang, Zhu, Lili, Shi, Qiang, Ren, Jiajun, Peng, Qian, Shuai, Zhigang. Excitonic coupling effect on the nonradiative decay rate in molecular aggregates: Formalism and application. CHEMICAL PHYSICS LETTERS[J]. 2017, 第 3 作者683: 507-514, http://dx.doi.org/10.1016/j.cplett.2017.03.077.
[80] Song, Kai, Shi, Qiang. Theoretical study of photoinduced proton coupled electron transfer reaction using the non-perturbative hierarchical equations of motion method. JOURNAL OF CHEMICAL PHYSICS[J]. 2017, 第 11 作者146(18): https://www.webofscience.com/wos/woscc/full-record/WOS:000401368900011.
[81] Song, Linze, Shi, Qiang. Hierarchical equations of motion method applied to nonequilibrium heat transport in model molecular junctions: Transient heat current and high-order moments of the current operator. PHYSICAL REVIEW B[J]. 2017, 第 11 作者95(6): https://www.webofscience.com/wos/woscc/full-record/WOS:000394657300007.
[82] Zhang, GengWu, Shi, Qiang, Chen, ChuanFeng. Formation of charge-transfer complexes based on a tropylium cation and 2,6-helic6arenes: a visible redox stimulus-responsive process. CHEMICAL COMMUNICATIONS[J]. 2017, 第 2 作者53(17): 2582-2585, https://www.webofscience.com/wos/woscc/full-record/WOS:000395873100012.
[83] Shi, Qiang, Han, Ying, Chen, ChuanFeng. Complexation Between (O-Methyl)(6)-2,6-Helic6arene and Tertiary Ammonium Salts: Acid/Base- or Chloride-Ion-Responsive Host-Guest Systems and Synthesis of 2Rotaxane. CHEMISTRY-AN ASIAN JOURNAL[J]. 2017, 第 1 作者12(19): 2576-2582, https://www.webofscience.com/wos/woscc/full-record/WOS:000412325700014.
[84] Zhao, Weiwei, Song, Kai, Chen, Yao, Wang, Hua, Liu, Zhang, Shi, Qiang, Huang, Jianbin, Wang, Yilin. Aggregation of a Cationic Gemini Surfactant with a Chelating Molecule and Effects from Calcium Ions. LANGMUIR[J]. 2017, 第 6 作者33(44): 12719-12728, http://dx.doi.org/10.1021/acs.langmuir.7b03137.
[85] Zhu, Weigang, Zhu, Lingyun, Zou, Ye, Wu, Yishi, Zhen, Yonggang, Dong, Huanli, Fu, Hongbing, Wei, Zhixiang, Shi, Qiang, Hu, Wenping. Deepening Insights of Charge Transfer and Photophysics in a Novel Donor-Acceptor Cocrystal for Waveguide Couplers and Photonic Logic Computation. ADVANCED MATERIALS[J]. 2016, 第 9 作者28(28): 5954-+, https://www.doi.org/10.1002/adma.201600280.
[86] Song, Kai, Bai, Shuming, Shi, Qiang. Effect of Pulse Shaping on Observing Coherent Energy Transfer in Single Light-Harvesting Complexes. JOURNAL OF PHYSICAL CHEMISTRY B[J]. 2016, 第 3 作者  通讯作者  120(45): 11637-11643, 
[87] Xie, Weiwei, Xu, Meng, Bai, Shuming, Shi, Qiang. Mixed Quantum-Classical Study of Nonadiabatic Curve Crossing in Condensed Phases. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2016, 第 4 作者  通讯作者  120(19): 3225-3232, https://www.webofscience.com/wos/woscc/full-record/WOS:000376417300030.
[88] 宋凯, 徐扬, 宋林泽, 史强. 凝聚相质子转移反应的量子动力学理论. 中国科学 : 化学[J]. 2016, 第 4 作者46(10): 1039-1049, https://www.sciengine.com/doi/10.1360/N032016-00086.
[89] Shi Qiang. An alternative realization of the exact non-Markovian stochastic Schrödinger equation. J. Chem. Phys.. 2016, 第 1 作者  通讯作者  
[90] Meng, Zheng, Wang, BoYang, Xiang, JunFeng, Shi, Qiang, Chen, ChuanFeng. Self-Assembly of a 2Pseudorotaxane by an Inchworm-Motion Mechanism. CHEMISTRY-A EUROPEAN JOURNAL[J]. 2016, 第 4 作者  通讯作者  22(42): 15075-15084, 
[91] Zhao, YanXia, Li, XiaoNa, Yuan, Zhen, Liu, QingYu, Shi, Qiang, He, ShengGui. Methane activation by gold-doped titanium oxide cluster anions with closed-shell electronic structures. CHEMICAL SCIENCE[J]. 2016, 第 5 作者  通讯作者  7(7): 4730-4735, https://www.webofscience.com/wos/woscc/full-record/WOS:000378715000095.
[92] Zheng, Renhui, Wei, Wenmei, Sun, Yuanyuan, Song, Kai, Shi, Qiang. Theoretical study of vibrational energy transfer of free OH groups at the water-air interface. JOURNAL OF CHEMICAL PHYSICS[J]. 2016, 第 5 作者  通讯作者  144(14): https://www.webofscience.com/wos/woscc/full-record/WOS:000374774000040.
[93] Welsch, Ralph, Song, Kai, Shi, Qiang, Althorpe, Stuart C, Miller, Thomas F, III. Non-equilibrium dynamics from RPMD and CMD. JOURNAL OF CHEMICAL PHYSICS[J]. 2016, 第 3 作者145(20): http://dx.doi.org/10.1063/1.4967958.
[94] Zhu, Weigang, Zhu, Lingyun, Zou, Ye, Wu, Yishi, Zhen, Yonggang, Dong, Huanli, Fu, Hongbing, Wei, Zhixiang, Shi, Qiang, Hu, Wenping. Deepening Insights of Charge Transfer and Photophysics in a Novel Donor-Acceptor Cocrystal for Waveguide Couplers and Photonic Logic Computation. ADVANCED MATERIALS[J]. 2016, 第 9 作者28(28): 5954-+, http://dx.doi.org/10.1002/adma.201600280.
[95] Song, Kai, Bai, Shuming, Shi, Qiang. Effect of Pulse Shaping on Observing Coherent Energy Transfer in Single Light-Harvesting Complexes. JOURNAL OF PHYSICAL CHEMISTRY B[J]. 2016, 第 11 作者120(45): 11637-11643, 
[96] Xie, Weiwei, Xu, Meng, Bai, Shuming, Shi, Qiang. Mixed Quantum-Classical Study of Nonadiabatic Curve Crossing in Condensed Phases. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2016, 第 11 作者120(19): 3225-3232, https://www.webofscience.com/wos/woscc/full-record/WOS:000376417300030.
[97] 宋凯, 徐扬, 宋林泽, 史强. ���������������������������������������������������. 中国科学. 化学[J]. 2016, 第 4 作者46(10): 1039-1049, https://www.sciengine.com/doi/10.1360/N032016-00086.
[98] Shi Qiang. An alternative realization of the exact non-Markovian stochastic Schr��dinger equation. J. Chem. Phys.. 2016, 第 11 作者
[99] Meng, Zheng, Wang, BoYang, Xiang, JunFeng, Shi, Qiang, Chen, ChuanFeng. Self-Assembly of a 2Pseudorotaxane by an Inchworm-Motion Mechanism. CHEMISTRY-A EUROPEAN JOURNAL[J]. 2016, 第 11 作者22(42): 15075-15084, 
[100] Zhao, YanXia, Li, XiaoNa, Yuan, Zhen, Liu, QingYu, Shi, Qiang, He, ShengGui. Methane activation by gold-doped titanium oxide cluster anions with closed-shell electronic structures. CHEMICAL SCIENCE[J]. 2016, 第 11 作者7(7): 4730-4735, https://www.webofscience.com/wos/woscc/full-record/WOS:000378715000095.
[101] Zheng, Renhui, Wei, Wenmei, Sun, Yuanyuan, Song, Kai, Shi, Qiang. Theoretical study of vibrational energy transfer of free OH groups at the water-air interface. JOURNAL OF CHEMICAL PHYSICS[J]. 2016, 第 11 作者144(14): https://www.webofscience.com/wos/woscc/full-record/WOS:000374774000040.
[102] Welsch, Ralph, Song, Kai, Shi, Qiang, Althorpe, Stuart C, Miller, Thomas F, III. Non-equilibrium dynamics from RPMD and CMD. JOURNAL OF CHEMICAL PHYSICS[J]. 2016, 第 3 作者145(20): https://www.webofscience.com/wos/woscc/full-record/WOS:000390118200020.
[103] Song, Kai, Bai, Shuming, Shi, Qiang. A time domain two-particle approximation to calculate the absorption and circular dichroism line shapes of molecular aggregates. JOURNAL OF CHEMICAL PHYSICS[J]. 2015, 第 3 作者143(6): http://ir.iccas.ac.cn/handle/121111/27659.
[104] Song, Linze, Shi, Qiang. Calculation of correlated initial state in the hierarchical equations of motion method using an imaginary time path integral approach. JOURNAL OF CHEMICAL PHYSICS[J]. 2015, 第 2 作者143(19): http://dx.doi.org/10.1063/1.4935799.
[105] Yuan-yuan Jing, Kai Song, Shu-ming Bai, Qiang Shi. Linear and Nonlinear Spectra in Photosynthetic Light Harvesting Complexes: Benchmark Tests of Modified Redfield Method. 化学物理学报[J]. 2015, 第 4 作者28(4): 431-439, http://lib.cqvip.com/Qikan/Article/Detail?id=Wd728887768866504849534852484857.
[106] Zhu, Weigang, Zheng, Renhui, Fu, Xiaolong, Fu, Hongbing, Shi, Qiang, Zhen, Yonggang, Dong, Huanli, Hu, Wenping. Revealing the Charge-Transfer Interactions in Self-Assembled Organic Cocrystals: Two-Dimensional Photonic Applications. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION[J]. 2015, 第 5 作者54(23): 6785-6789, http://dx.doi.org/10.1002/anie.201501414.
[107] Zheng, Renhui, Wei, Wenmei, Shi, Qiang. A theoretical study of sum-frequency generation for chiral solutions near electronic resonance. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2015, 第 3 作者17(31): 20296-20300, http://dx.doi.org/10.1039/c5cp02136g.
[108] Jing, Yuanyuan, Song, Kai, Bai, Shuming, Shi, Qiang. Linear and Nonlinear Spectra in Photosynthetic Light Harvesting Complexes: Benchmark Tests of Modified Redfield Method. CHINESE JOURNAL OF CHEMICAL PHYSICS[J]. 2015, 第 4 作者  通讯作者  28(4): 431-439, http://lib.cqvip.com/Qikan/Article/Detail?id=Wd728887768866504849534852484857.
[109] Zheng, Renhui, Wei, Wenmei, Shi, Qiang. Theoretical investigation of quadrupole contributions to surface sum-frequency vibrational spectroscopy. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2015, 第 3 作者17(14): 9068-9073, http://dx.doi.org/10.1039/c4cp05347h.
[110] Liu, Yang, Liu, Hao, Song, Kai, Xu, Yang, Shi, Qiang. Theoretical Study of Proton Coupled Electron Transfer Reactions: The Effect of Hydrogen Bond Bending Motion. JOURNAL OF PHYSICAL CHEMISTRY B[J]. 2015, 第 5 作者  通讯作者  119(25): 8104-8114, http://dx.doi.org/10.1021/acs.jpcb.5b02927.
[111] Bai, Shuming, Song, Kai, Shi, Qiang. Effects of Different Quantum Coherence on the Pump-Probe Polarization Anisotropy of Photosynthetic Light-Harvesting Complexes: A Computational Study. JOURNAL OF PHYSICAL CHEMISTRY LETTERS[J]. 2015, 第 3 作者  通讯作者  6(10): 1954-1960, http://ir.iccas.ac.cn/handle/121111/28126.
[112] Nie, HaiJing, Yang, WenWen, Zheng, RenHui, Shi, Qiang, Chen, Hui, Yao, Jiannian, Zhong, YuWu. Metal Chelation-Assisted Amine-Amine Electronic Coupling through the 4,4′-Positions of 2,2′-Bipyridine. INORGANIC CHEMISTRY[J]. 2015, 第 4 作者54(4): 1272-1282, http://dx.doi.org/10.1021/ic5024967.
[113] Wang, Xuedong, Liao, Qing, Li, Hui, Bai, Shuming, Wu, Yishi, Lu, Xiaomei, Hu, Huaiyuan, Shi, Qiang, Fu, Hongbing. Near-Infrared Lasing from Small-Molecule Organic Hemispheres. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2015, 第 8 作者137(29): 9289-9295, http://ir.iccas.ac.cn/handle/121111/27794.
[114] Zhu, Weigang, Zheng, Renhui, Zhen, Yonggang, Yu, Zhenyi, Dong, Huanli, Fu, Hongbing, Shi, Qiang, Hu, Wenping. Rational Design of Charge-Transfer Interactions in Halogen-Bonded Co-crystals toward Versatile Solid-State Optoelectronics. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2015, 第 7 作者137(34): 11038-11046, http://dx.doi.org/10.1021/jacs.5b05586.
[115] Song, Linze, Shi, Qiang. A new approach to calculate charge carrier transport mobility in organic molecular crystals from imaginary time path integral simulations. JOURNAL OF CHEMICAL PHYSICS[J]. 2015, 第 2 作者142(17): http://ir.iccas.ac.cn/handle/121111/28007.
[116] Song, Kai, Bai, Shuming, Shi, Qiang. A time domain two-particle approximation to calculate the absorption and circular dichroism line shapes of molecular aggregates. JOURNAL OF CHEMICAL PHYSICS[J]. 2015, 第 3 作者143(6): http://ir.iccas.ac.cn/handle/121111/27659.
[117] Song, Linze, Shi, Qiang. Calculation of correlated initial state in the hierarchical equations of motion method using an imaginary time path integral approach. JOURNAL OF CHEMICAL PHYSICS[J]. 2015, 第 2 作者143(19): http://dx.doi.org/10.1063/1.4935799.
[118] Yuan-yuan Jing, Kai Song, Shu-ming Bai, Qiang Shi. Linear and Nonlinear Spectra in Photosynthetic Light Harvesting Complexes: Benchmark Tests of Modified Redfield Method. 化学物理学报[J]. 2015, 第 4 作者28(4): 431-439, http://lib.cqvip.com/Qikan/Article/Detail?id=Wd728887768866504849534852484857.
[119] Zhu, Weigang, Zheng, Renhui, Fu, Xiaolong, Fu, Hongbing, Shi, Qiang, Zhen, Yonggang, Dong, Huanli, Hu, Wenping. Revealing the Charge-Transfer Interactions in Self-Assembled Organic Cocrystals: Two-Dimensional Photonic Applications. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION[J]. 2015, 第 5 作者54(23): 6785-6789, http://dx.doi.org/10.1002/anie.201501414.
[120] Zheng, Renhui, Wei, Wenmei, Shi, Qiang. A theoretical study of sum-frequency generation for chiral solutions near electronic resonance. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2015, 第 3 作者17(31): 20296-20300, http://ir.iccas.ac.cn/handle/121111/27792.
[121] Jing, Yuanyuan, Song, Kai, Bai, Shuming, Shi, Qiang. Linear and Nonlinear Spectra in Photosynthetic Light Harvesting Complexes: Benchmark Tests of Modified Redfield Method. CHINESE JOURNAL OF CHEMICAL PHYSICS[J]. 2015, 第 11 作者28(4): 431-439, http://lib.cqvip.com/Qikan/Article/Detail?id=Wd728887768866504849534852484857.
[122] Zheng, Renhui, Wei, Wenmei, Shi, Qiang. Theoretical investigation of quadrupole contributions to surface sum-frequency vibrational spectroscopy. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2015, 第 3 作者17(14): 9068-9073, http://dx.doi.org/10.1039/c4cp05347h.
[123] Liu, Yang, Liu, Hao, Song, Kai, Xu, Yang, Shi, Qiang. Theoretical Study of Proton Coupled Electron Transfer Reactions: The Effect of Hydrogen Bond Bending Motion. JOURNAL OF PHYSICAL CHEMISTRY B[J]. 2015, 第 11 作者119(25): 8104-8114, http://ir.iccas.ac.cn/handle/121111/27908.
[124] Bai, Shuming, Song, Kai, Shi, Qiang. Effects of Different Quantum Coherence on the Pump-Probe Polarization Anisotropy of Photosynthetic Light-Harvesting Complexes: A Computational Study. JOURNAL OF PHYSICAL CHEMISTRY LETTERS[J]. 2015, 第 11 作者6(10): 1954-1960, http://ir.iccas.ac.cn/handle/121111/28126.
[125] Nie, HaiJing, Yang, WenWen, Zheng, RenHui, Shi, Qiang, Chen, Hui, Yao, Jiannian, Zhong, YuWu. Metal Chelation-Assisted Amine-Amine Electronic Coupling through the 4,4 '-Positions of 2,2 '-Bipyridine. INORGANIC CHEMISTRY[J]. 2015, 第 4 作者54(4): 1272-1282, http://dx.doi.org/10.1021/ic5024967.
[126] Wang, Xuedong, Liao, Qing, Li, Hui, Bai, Shuming, Wu, Yishi, Lu, Xiaomei, Hu, Huaiyuan, Shi, Qiang, Fu, Hongbing. Near-Infrared Lasing from Small-Molecule Organic Hemispheres. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2015, 第 8 作者137(29): 9289-9295, http://ir.iccas.ac.cn/handle/121111/27794.
[127] Zhu, Weigang, Zheng, Renhui, Zhen, Yonggang, Yu, Zhenyi, Dong, Huanli, Fu, Hongbing, Shi, Qiang, Hu, Wenping. Rational Design of Charge-Transfer Interactions in Halogen-Bonded Co-crystals toward Versatile Solid-State Optoelectronics. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2015, 第 7 作者137(34): 11038-11046, http://dx.doi.org/10.1021/jacs.5b05586.
[128] Song, Linze, Shi, Qiang. A new approach to calculate charge carrier transport mobility in organic molecular crystals from imaginary time path integral simulations. JOURNAL OF CHEMICAL PHYSICS[J]. 2015, 第 2 作者142(17): http://ir.iccas.ac.cn/handle/121111/28007.
[129] Bai, Shuming, Xie, Weiwei, Zhu, Lili, Shi, Qiang. Calculation of absorption spectra involving multiple excited states: Approximate methods based on the mixed quantum classical Liouville equation. JOURNAL OF CHEMICAL PHYSICS[J]. 2014, 第 4 作者140(8): https://www.webofscience.com/wos/woscc/full-record/WOS:000332485900007.
[130] Liao, Qing, Xu, Zhenzhen, Zhong, Xiaolan, Dang, Wei, Shi, Qiang, Zhang, Chao, Weng, Yuxiang, Li, Zhiyuan, Fu, Hongbing. An organic nanowire waveguide exciton-polariton sub-microlaser and its photonic application. JOURNAL OF MATERIALS CHEMISTRY C[J]. 2014, 第 5 作者2(15): 2773-2778, http://ir.iphy.ac.cn/handle/311004/59222.
[131] Xie, Weiwei, Xu, Yang, Zhu, Lili, Shi, Qiang. Mixed quantum classical calculation of proton transfer reaction rates: From deep tunneling to over the barrier regimes. JOURNAL OF CHEMICAL PHYSICS[J]. 2014, 第 4 作者140(17): https://www.webofscience.com/wos/woscc/full-record/WOS:000336048000007.
[132] Bai, Shuming, Xie, Weiwei, Shi, Qiang. A New Trajectory Branching Approximation To Propagate the Mixed Quantum-Classical Liouville Equation. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2014, 第 3 作者  通讯作者  118(39): 9262-9271, https://www.webofscience.com/wos/woscc/full-record/WOS:000342651200042.
[133] Liu, Hao, Zhu, Lili, Bai, Shuming, Shi, Qiang. Reduced quantum dynamics with arbitrary bath spectral densities: Hierarchical equations of motion based on several different bath decomposition schemes. JOURNAL OF CHEMICAL PHYSICS[J]. 2014, 第 4 作者140(13): https://www.webofscience.com/wos/woscc/full-record/WOS:000334577300007.
[134] 廖清, 徐珍珍, 钟晓兰, 党伟, 史强, 钟超, 翁羽翔, 李志远, 付红兵. An organic nanowire waveguide exciton-polariton sub-microlaser and its photonic application. J. MATER. CHEM. C[J]. 2014, 第 5 作者2(1): 2773-2778, http://ir.iccas.ac.cn/handle/121111/28760.
[135] Zheng, RenHui, Wei, WenMei, Liu, Hao, Jing, YuanYuan, Wang, BoYang, Shi, Qiang. Theoretical study of sum-frequency vibrational spectroscopy on limonene surface. JOURNAL OF CHEMICAL PHYSICS[J]. 2014, 第 6 作者140(10): http://dx.doi.org/10.1063/1.4867575.
[136] Zheng, Renhui, Wei, Wenmei, Zhu, Lili, Shi, Qiang. Theoretical study of the resonance Raman spectra for meso-tetrakis(3,5-di-tertiarybutylphenyl)-porphyrin. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY[J]. 2014, 第 4 作者133: 707-713, http://dx.doi.org/10.1016/j.saa.2014.06.047.
[137] Tang, Ailing, Lu, Zhenhuan, Bai, Shuming, Huang, Jianhua, Chen, Yuxia, Shi, Qiang, Zhan, Chuanlang, Yao, Jiannian. Photocurrent Enhancement in Diketopyrrolopyrrole Solar Cells by Manipulating Dipolar Anchoring Terminals on Alkyl-Chain Spacers. CHEMISTRY-AN ASIAN JOURNAL[J]. 2014, 第 6 作者9(3): 883-892, https://www.webofscience.com/wos/woscc/full-record/WOS:000331611900028.
[138] Bai, Shuming, Xie, Weiwei, Zhu, Lili, Shi, Qiang. Calculation of absorption spectra involving multiple excited states: Approximate methods based on the mixed quantum classical Liouville equation. JOURNAL OF CHEMICAL PHYSICS[J]. 2014, 第 4 作者140(8): https://www.webofscience.com/wos/woscc/full-record/WOS:000332485900007.
[139] Liao, Qing, Xu, Zhenzhen, Zhong, Xiaolan, Dang, Wei, Shi, Qiang, Zhang, Chao, Weng, Yuxiang, Li, Zhiyuan, Fu, Hongbing. An organic nanowire waveguide exciton-polariton sub-microlaser and its photonic application. JOURNAL OF MATERIALS CHEMISTRY C[J]. 2014, 第 5 作者2(15): 2773-2778, http://ir.iphy.ac.cn/handle/311004/59222.
[140] Xie, Weiwei, Xu, Yang, Zhu, Lili, Shi, Qiang. Mixed quantum classical calculation of proton transfer reaction rates: From deep tunneling to over the barrier regimes. JOURNAL OF CHEMICAL PHYSICS[J]. 2014, 第 4 作者140(17): https://www.webofscience.com/wos/woscc/full-record/WOS:000336048000007.
[141] Bai, Shuming, Xie, Weiwei, Shi, Qiang. A New Trajectory Branching Approximation To Propagate the Mixed Quantum-Classical Liouville Equation. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2014, 第 11 作者118(39): 9262-9271, https://www.webofscience.com/wos/woscc/full-record/WOS:000342651200042.
[142] Zheng, RenHui, Wei, WenMei, Liu, Hao, Jing, YuanYuan, Wang, BoYang, Shi, Qiang. Theoretical study of sum-frequency vibrational spectroscopy on limonene surface. JOURNAL OF CHEMICAL PHYSICS[J]. 2014, 第 6 作者140(10): https://www.webofscience.com/wos/woscc/full-record/WOS:000334120300047.
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[204] Cao, Xinqiang, Bai, Shuming, Wu, Yishi, Liao, Qing, Shi, Qiang, Fu, Hongbing, Yao, Jiannian. Self-assembly of twisted tetrachloroperylenediimide chromophores into two dimensional brick-stone aggregates: exciton dynamics and photoconductivity. CHEMICAL COMMUNICATIONS[J]. 2012, 第 5 作者48(51): 6402-6404, https://www.webofscience.com/wos/woscc/full-record/WOS:000304605700024.
[205] Zheng, Renhui, Sun, Yuanyuan, Shi, Qiang. Theoretical study of the infrared and Raman line shapes of liquid methanol. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2011, 第 3 作者  通讯作者  13(6): 2027-2035, https://www.webofscience.com/wos/woscc/full-record/WOS:000286628200011.
[206] Zheng, Renhui, Wei, Wenmei, Sun, Yuanyuan, Shi, Qiang. Theoretical Study of Doubly Resonant IR-UV Hyper-Raman Scattering. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2011, 第 4 作者115(11): 2231-2237, https://www.webofscience.com/wos/woscc/full-record/WOS:000288400900018.
[207] Li, Huixue, Zheng, Renhui, Shi, Qiang. Theoretical study on charge carrier mobilities of tetrathiafulvalene derivatives. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2011, 第 3 作者13(13): 5642-5650, https://www.webofscience.com/wos/woscc/full-record/WOS:000288447100020.
[208] Wang, Lei, Yang, WenWen, Zheng, RenHui, Shi, Qiang, Zhong, YuWu, Yao, Jiannian. Electronic Coupling between Two Cyclometalated Ruthenium Centers Bridged by 1,3,6,8-Tetrakis(1-butyl-1H-1,2,3-triazol-4-yl)pyrene. INORGANIC CHEMISTRY[J]. 2011, 第 4 作者50(15): 7074-7079, https://www.webofscience.com/wos/woscc/full-record/WOS:000293036000031.
[209] Wang, Linjun, Beljonne, David, Chen, Liping, Shi, Qiang. Mixed quantum-classical simulations of charge transport in organic materials: Numerical benchmark of the Su-Schrieffer-Heeger model. JOURNAL OF CHEMICAL PHYSICS[J]. 2011, 第 4 作者134(24): http://dx.doi.org/10.1063/1.3604561.
[210] 韦文美, 郑仁慧, 景园园, 刘雅婷, 胡骏程, 叶勇, 史强. ������������������������������������������. 化学物理学报[J]. 2011, 第 7 作者24(5): 625-630, http://lib.cqvip.com/Qikan/Article/Detail?id=39812447.
[211] Nan, Guangjun, Shi, Qiang, Shuai, Zhigang, Li, Zesheng. Influences of molecular packing on the charge mobility of organic semiconductors: from quantum charge transfer rate theory beyond the first-order perturbation. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2011, 第 2 作者13(20): 9736-9746, https://www.webofscience.com/wos/woscc/full-record/WOS:000290224900078.
[212] 郑仁慧, 景园园, 史强. Theoretical Study of Doubly Resonant IR-UV Hyper-Raman scattering. J. PHYS. CHEM. A.[J]. 2011, 第 3 作者115(11): 2231-2237, http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000288400900018&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=3a85505900f77cc629623c3f2907beab.
[213] Kang, Longtian, Fu, Hongbing, Cao, Xinqiang, Shi, Qiang, Yao, Jiannian. Controlled Morphogenesis of Organic Polyhedral Nanocrystals from Cubes, Cubooctahedrons, to Octahedrons by Manipulating the Growth Kinetics. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2011, 第 4 作者133(6): 1895-1901, https://www.webofscience.com/wos/woscc/full-record/WOS:000287831800062.
[214] 郑仁慧, 李会学, 史强. Theoretical investigation on sum-frequency vibrational spectroscopy off electronic resonance for limonene chiral liquids: the second-order Herzberg���Teller effect. CHEM. PHYS. LETT.[J]. 2011, 第 3 作者512(4): 269-272, http://ir.iccas.ac.cn/handle/121111/5503.
[215] Wu, XiaoNan, Ding, XunLei, Bai, ShuMing, Xu, Bo, He, ShengGui, Shi, Qiang. Experimental and Theoretical Study of the Reactions between Cerium Oxide Cluster Anions and Carbon Monoxide: Size-Dependent Reactivity of CenO2n+1- (n=1-21). JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2011, 第 6 作者115(27): 13329-13337, http://dx.doi.org/10.1021/jp202077s.
[216] Chen, Liping, Zheng, Renhui, Jing, Yuanyuan, Shi, Qiang. Simulation of the two-dimensional electronic spectra of the Fenna-Matthews-Olson complex using the hierarchical equations of motion method. JOURNAL OF CHEMICAL PHYSICS[J]. 2011, 第 11 作者134(19): https://www.webofscience.com/wos/woscc/full-record/WOS:000291109900039.
[217] Zheng, Renhui, Wei, Wenmei, Li, Huixue, Shi, Qiang. Theoretical investigation on sum-frequency vibrational spectroscopy off electronic resonance for limonene chiral liquids: The second-order Herzberg-Teller effect. CHEMICAL PHYSICS LETTERS[J]. 2011, 第 4 作者512(4-6): 269-272, http://dx.doi.org/10.1016/j.cplett.2011.07.033.
[218] 史强, 陈丽平, 朱莉莉. Quantum rate dynamics for proton transfer reaction in a model system: effect of the rate promoting vibrational mode. J. CHEM. PHYS.[J]. 2011, 第 1 作者135(4): 04450-1, http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000293477300054&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=3a85505900f77cc629623c3f2907beab.
[219] 朱莉莉, 南广军, 史强. Theoretical Study of electron transfer rates in the inverted region. SCIENTIA SINICA CHIMICA[J]. 2011, 第 3 作者41(8): 1421-1428, http://ir.iccas.ac.cn/handle/121111/5505.
[220] Wei, Wenmei, Zheng, Renhui, Jing, Yuanyuan, Liu, Yating, Hu, Juncheng, Ye, Yong, Shi, Qiang. Theoretical Study on Raman Spectra of Aqueous Peroxynitric Acid. CHINESE JOURNAL OF CHEMICAL PHYSICS[J]. 2011, 第 7 作者24(5): 625-630, https://www.webofscience.com/wos/woscc/full-record/WOS:000297139200018.
[221] Xu, Sichuan, Chi, Shaoming, Jin, Yi, Shi, Qiang, Ge, Maofa, Wang, Shu, Zhang, Xingkang. The key residues of active sites located on beta-tubulin forming an active pocket for paclitaxel binding. AMINO ACIDS[J]. 2011, 第 4 作者41: S36-S36, https://www.webofscience.com/wos/woscc/full-record/WOS:000306273000111.
[222] 吴晓楠, 丁迅雷, 白书明, 徐波, 何圣贵, 史强. Experimental and Theoretical Study of the Reactions between Cerium Oxide Cluster Anions and Carbon Monoxide: Size-Dependent Reactivity of CenO2n+1-(n=1-21). J. PHYS. CHEM. C[J]. 2011, 第 6 作者115(27): 13329-13337, http://ir.iccas.ac.cn/handle/121111/5499.
[223] 姚建年. Controlled Morphogenesis of Organic Polyhedral Nanocrystals from Cubes, Cubooctahedrons, to Octahedrons by Manipulating the Growth Kinetics. J AM CHEM SOC[J]. 2011, 133(6): 1895-1901, http://ir.iccas.ac.cn/handle/121111/28741.
[224] 李会学, 郑仁慧, 史强. Theoretical study on charge carrier mobilities of Tetrathiafulvalene derivatives. PHYS. CHEM. CHEM. PHYS.[J]. 2011, 第 3 作者13: 5642-5650, http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000288447100020&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=3a85505900f77cc629623c3f2907beab.
[225] 朱莉莉, 南广军, 史强. ������������������������������������������. 中国科学：化学[J]. 2011, 第 3 作者41(8): 1421-1428, http://lib.cqvip.com/Qikan/Article/Detail?id=38801572.
[226] Wang, Yue, Bian, Fuyong, Deng, Shengrong, Shi, Qiang, Ge, Maofa, Wang, Shu, Zhang, Xingkang, Xu, Sichuan. The Key Residues of Active Sites on the Catalytic Fragment for Paclitaxel Interacting with Poly (ADP-Ribose) Polymerase. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS[J]. 2011, 第 4 作者28(6): 881-893, https://dx.doi.org/10.1080/07391102.2011.10508615.
[227] 郑仁慧, 孙元元, 史强. Theoretical study of the Infrared and Raman line shapes of liquid Methanol. PHYS. CHEM. CHEM. PHYS.[J]. 2011, 第 3 作者13(6): 2027-2035, http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000286628200011&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=3a85505900f77cc629623c3f2907beab.
[228] 郑仁慧, 景园园, 史强. Theoretical Study On Raman Spectra of Aqueous Peroxynitric Acid. CHIN. J. CHEM. PHYS.[J]. 2011, 第 3 作者133(6): 1895-1901, http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000297139200018&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=3a85505900f77cc629623c3f2907beab.
[229] Shi, Qiang, Zhu, Lili, Chen, Liping. Quantum rate dynamics for proton transfer reaction in a model system: Effect of the rate promoting vibrational mode. JOURNAL OF CHEMICAL PHYSICS[J]. 2011, 第 11 作者135(4): https://www.webofscience.com/wos/woscc/full-record/WOS:000293477300054.
[230] 史强, 陈丽平. Mixed quantum-classical simulations of charge transport in organic materials: numerical benchmark of the Su-Schrieffer-Heeger model. J. CHEM. PHYS[J]. 2011, 第 1 作者134(24): 244116-244116, http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000292331900019&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=3a85505900f77cc629623c3f2907beab.
[231] 南广军, 史强. Influences of molecular packing on the charge mobility of organic semiconductors: From quantum charge transfer rate theory beyond the first-order perturbation. PHYS. CHEM. CHEM. PHYS[J]. 2011, 第 2 作者13(20): 9736-9746, http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000290224900078&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=3a85505900f77cc629623c3f2907beab.
[232] 陈丽平, 郑仁慧, 景园园, 史强. Simulation of the two-dimensional electronic spectra of the Fenna-Matthews-Olson complex using the hierarchical equations of motion method. J. CHEM. PHYS[J]. 2011, 第 4 作者134(19): 194508-194508, http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000291109900039&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=3a85505900f77cc629623c3f2907beab.
[233] Zheng, Renhui, Sun, Yuanyuan, Shi, Qiang. Theoretical study of the infrared and Raman line shapes of liquid methanol. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2011, 第 11 作者13(6): 2027-2035, https://www.webofscience.com/wos/woscc/full-record/WOS:000286628200011.
[234] Li, Huixue, Zheng, Renhui, Shi, Qiang. Theoretical study on charge carrier mobilities of tetrathiafulvalene derivatives. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2011, 第 3 作者13(13): 5642-5650, https://www.webofscience.com/wos/woscc/full-record/WOS:000288447100020.
[235] Zheng, Renhui, Jing, Yuanyuan, Chen, Liping, Shi, Qiang. Theory of proton coupled electron transfer reactions: Assessing the Born-Oppenheimer approximation for the proton motion using an analytically solvable model. CHEMICAL PHYSICS[J]. 2011, 第 11 作者379(1-3): 39-45, http://dx.doi.org/10.1016/j.chemphys.2010.11.001.
[236] Wang, Linjun, Beljonne, David, Chen, Liping, Shi, Qiang. Mixed quantum-classical simulations of charge transport in organic materials: Numerical benchmark of the Su-Schrieffer-Heeger model. JOURNAL OF CHEMICAL PHYSICS[J]. 2011, 第 4 作者134(24): http://dx.doi.org/10.1063/1.3604561.
[237] Kang, Longtian, Fu, Hongbing, Cao, Xinqiang, Shi, Qiang, Yao, Jiannian. Controlled Morphogenesis of Organic Polyhedral Nanocrystals from Cubes, Cubooctahedrons, to Octahedrons by Manipulating the Growth Kinetics. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2011, 第 4 作者133(6): 1895-1901, https://www.webofscience.com/wos/woscc/full-record/WOS:000287831800062.
[238] Nan, Guangjun, Shi, Qiang, Shuai, Zhigang, Li, Zesheng. Influences of molecular packing on the charge mobility of organic semiconductors: from quantum charge transfer rate theory beyond the first-order perturbation. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2011, 第 2 作者13(20): 9736-9746, https://www.webofscience.com/wos/woscc/full-record/WOS:000290224900078.
[239] Wu, XiaoNan, Ding, XunLei, Bai, ShuMing, Xu, Bo, He, ShengGui, Shi, Qiang. Experimental and Theoretical Study of the Reactions between Cerium Oxide Cluster Anions and Carbon Monoxide: Size-Dependent Reactivity of CenO2n+1- (n=1-21). JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2011, 第 6 作者115(27): 13329-13337, http://dx.doi.org/10.1021/jp202077s.
[240] 朱莉莉, 南广军, 史强. Theoretical Study of electron transfer rates in the inverted region. SCIENTIA SINICA CHIMICA[J]. 2011, 第 3 作者41(8): 1421-1428, http://ir.iccas.ac.cn/handle/121111/5505.
[241] Zheng, Renhui, Wei, Wenmei, Li, Huixue, Shi, Qiang. Theoretical investigation on sum-frequency vibrational spectroscopy off electronic resonance for limonene chiral liquids: The second-order Herzberg-Teller effect. CHEMICAL PHYSICS LETTERS[J]. 2011, 第 4 作者512(4-6): 269-272, http://dx.doi.org/10.1016/j.cplett.2011.07.033.
[242] Zheng, Renhui, Wei, Wenmei, Sun, Yuanyuan, Shi, Qiang. Theoretical Study of Doubly Resonant IR-UV Hyper-Raman Scattering. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2011, 第 4 作者115(11): 2231-2237, https://www.webofscience.com/wos/woscc/full-record/WOS:000288400900018.
[243] 郑仁慧, 景园园, 史强. Theoretical Study of Doubly Resonant IR-UV Hyper-Raman scattering. J. PHYS. CHEM. A.[J]. 2011, 第 3 作者115(11): 2231-2237, http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000288400900018&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=3a85505900f77cc629623c3f2907beab.
[244] 韦文美, 郑仁慧, 景园园, 刘雅婷, 胡骏程, 叶勇, 史强. 过氧硝酸溶液拉曼谱的理论研究. 化学物理学报[J]. 2011, 第 7 作者24(5): 625-630, http://lib.cqvip.com/Qikan/Article/Detail?id=39812447.
[245] Wang, Lei, Yang, WenWen, Zheng, RenHui, Shi, Qiang, Zhong, YuWu, Yao, Jiannian. Electronic Coupling between Two Cyclometalated Ruthenium Centers Bridged by 1,3,6,8-Tetrakis(1-butyl-1H-1,2,3-triazol-4-yl)pyrene. INORGANIC CHEMISTRY[J]. 2011, 第 4 作者50(15): 7074-7079, https://www.webofscience.com/wos/woscc/full-record/WOS:000293036000031.
[246] 郑仁慧, 李会学, 史强. Theoretical investigation on sum-frequency vibrational spectroscopy off electronic resonance for limonene chiral liquids: the second-order Herzberg–Teller effect. CHEM. PHYS. LETT.[J]. 2011, 第 3 作者512(4): 269-272, http://ir.iccas.ac.cn/handle/121111/5503.
[247] Chen, Liping, Zheng, Renhui, Jing, Yuanyuan, Shi, Qiang. Simulation of the two-dimensional electronic spectra of the Fenna-Matthews-Olson complex using the hierarchical equations of motion method. JOURNAL OF CHEMICAL PHYSICS[J]. 2011, 第 4 作者  通讯作者  134(19): https://www.webofscience.com/wos/woscc/full-record/WOS:000291109900039.
[248] Wei, Wenmei, Zheng, Renhui, Jing, Yuanyuan, Liu, Yating, Hu, Juncheng, Ye, Yong, Shi, Qiang. Theoretical Study on Raman Spectra of Aqueous Peroxynitric Acid. CHINESE JOURNAL OF CHEMICAL PHYSICS[J]. 2011, 第 7 作者24(5): 625-630, http://cjcp.ustc.edu.cn/hxwlxb/en/article/doi/10.1088/1674-0068/24/05/625-630.
[249] 史强, 陈丽平, 朱莉莉. Quantum rate dynamics for proton transfer reaction in a model system: effect of the rate promoting vibrational mode. J. CHEM. PHYS.[J]. 2011, 第 1 作者135(4): 04450-1, http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000293477300054&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=3a85505900f77cc629623c3f2907beab.
[250] Xu, Sichuan, Chi, Shaoming, Jin, Yi, Shi, Qiang, Ge, Maofa, Wang, Shu, Zhang, Xingkang. The key residues of active sites located on beta-tubulin forming an active pocket for paclitaxel binding. AMINO ACIDS[J]. 2011, 第 4 作者41: S36-S36, https://www.webofscience.com/wos/woscc/full-record/WOS:000306273000111.
[251] 姚建年. Controlled Morphogenesis of Organic Polyhedral Nanocrystals from Cubes, Cubooctahedrons, to Octahedrons by Manipulating the Growth Kinetics. J AM CHEM SOC[J]. 2011, 133(6): 1895-1901, http://ir.iccas.ac.cn/handle/121111/28741.
[252] 吴晓楠, 丁迅雷, 白书明, 徐波, 何圣贵, 史强. Experimental and Theoretical Study of the Reactions between Cerium Oxide Cluster Anions and Carbon Monoxide: Size-Dependent Reactivity of CenO2n+1-(n=1-21). J. PHYS. CHEM. C[J]. 2011, 第 6 作者115(27): 13329-13337, http://ir.iccas.ac.cn/handle/121111/5499.
[253] 李会学, 郑仁慧, 史强. Theoretical study on charge carrier mobilities of Tetrathiafulvalene derivatives. PHYS. CHEM. CHEM. PHYS.[J]. 2011, 第 3 作者13: 5642-5650, http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000288447100020&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=3a85505900f77cc629623c3f2907beab.
[254] 朱莉莉, 南广军, 史强. 反转区电子转移速率的理论研究. 中国科学 : 化学[J]. 2011, 第 3 作者41(8): 1421-1428, https://www.sciengine.com/doi/10.1360/032011-255.
[255] Wang, Yue, Bian, Fuyong, Deng, Shengrong, Shi, Qiang, Ge, Maofa, Wang, Shu, Zhang, Xingkang, Xu, Sichuan. The Key Residues of Active Sites on the Catalytic Fragment for Paclitaxel Interacting with Poly (ADP-Ribose) Polymerase. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS[J]. 2011, 第 4 作者28(6): 881-893, https://dx.doi.org/10.1080/07391102.2011.10508615.
[256] 郑仁慧, 孙元元, 史强. Theoretical study of the Infrared and Raman line shapes of liquid Methanol. PHYS. CHEM. CHEM. PHYS.[J]. 2011, 第 3 作者13(6): 2027-2035, http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000286628200011&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=3a85505900f77cc629623c3f2907beab.
[257] Shi, Qiang, Zhu, Lili, Chen, Liping. Quantum rate dynamics for proton transfer reaction in a model system: Effect of the rate promoting vibrational mode. JOURNAL OF CHEMICAL PHYSICS[J]. 2011, 第 1 作者  通讯作者  135(4): https://www.webofscience.com/wos/woscc/full-record/WOS:000293477300054.
[258] 郑仁慧, 景园园, 史强. Theoretical Study On Raman Spectra of Aqueous Peroxynitric Acid. CHIN. J. CHEM. PHYS.[J]. 2011, 第 3 作者133(6): 1895-1901, http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000297139200018&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=3a85505900f77cc629623c3f2907beab.
[259] 史强, 陈丽平. Mixed quantum-classical simulations of charge transport in organic materials: numerical benchmark of the Su-Schrieffer-Heeger model. J. CHEM. PHYS[J]. 2011, 第 1 作者134(24): 244116-244116, http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000292331900019&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=3a85505900f77cc629623c3f2907beab.
[260] 陈丽平, 郑仁慧, 景园园, 史强. Simulation of the two-dimensional electronic spectra of the Fenna-Matthews-Olson complex using the hierarchical equations of motion method. J. CHEM. PHYS[J]. 2011, 第 4 作者134(19): 194508-194508, http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000291109900039&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=3a85505900f77cc629623c3f2907beab.
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[262] Zheng, Renhui, Jing, Yuanyuan, Chen, Liping, Shi, Qiang. Theory of proton coupled electron transfer reactions: Assessing the Born-Oppenheimer approximation for the proton motion using an analytically solvable model. CHEMICAL PHYSICS[J]. 2011, 第 4 作者  通讯作者  379(1-3): 39-45, http://dx.doi.org/10.1016/j.chemphys.2010.11.001.
[263] Wang, Dong, Chen, Liping, Zheng, Renhui, Wang, Linjun, Shi, Qiang. Communications: A nonperturbative quantum master equation approach to charge carrier transport in organic molecular crystals. JOURNAL OF CHEMICAL PHYSICS[J]. 2010, 第 5 作者132(8): http://www.irgrid.ac.cn/handle/1471x/897780.
[264] Chen, Liping, Zheng, Renhui, Shi, Qiang, Yan, YiJing. Two-dimensional electronic spectra from the hierarchical equations of motion method: Application to model dimers. JOURNAL OF CHEMICAL PHYSICS[J]. 2010, 第 3 作者132(2): http://www.irgrid.ac.cn/handle/1471x/897777.
[265] 郑仁慧, 景园园, 陈丽平, 史强. Theory of proton coupled electron transfer reactions: Assessing the born–oppenheimer approximation for the proton motion using an analytically solvable model. CHEM. PHYS.[J]. 2010, 第 4 作者379(1): 39-45, http://ir.iccas.ac.cn/handle/121111/5500.
[266] Li, Jing, Zhang, Guanxin, Zhang, Deqing, Zheng, Renhui, Shi, Qiang, Zhu, Daoben. Boron-Containing Monopyrrolo-Annelated Tetra thiafulvalene Compounds: Synthesis and Absorption Spectral/Electrochemical Responsiveness toward Fluoride Ion. JOURNAL OF ORGANIC CHEMISTRY[J]. 2010, 第 5 作者75(15): 5330-5333, http://www.corc.org.cn/handle/1471x/2413814.
[267] Nan Guangjun, Zheng Renhui, Shi Qiang, Shuai Zhigang. 混合量子-经典方法计算电荷转移速率及其在实际体系中的应用. 物理化学学报[J]. 2010, 第 3 作者1755-1760, http://lib.cqvip.com/Qikan/Article/Detail?id=34508399.
[268] 南广军, 郑仁慧, 史强, 帅志刚. 混合量子-经典方法计算电荷转移速率及其在实际体系中的应用. 物理化学学报[J]. 2010, 第 3 作者1755-1760, http://lib.cqvip.com/Qikan/Article/Detail?id=34508399.
[269] Yuan Bo, Xu Zeren, Xie Zhuojun, Shi Qiang, Zhang Xingkang, Xu Sichuan. X-Ray Fluorescence Spectrum Analysis of Chemical Element for Spider and Silkworm Silk and Its Applications. SPECTROSCOPY AND SPECTRAL ANALYSIS[J]. 2010, 第 4 作者30(7): 1983-1989, http://www.irgrid.ac.cn/handle/1471x/897779.
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[271] Nan GuangJun, Zheng RenHui, Shi Qiang, Shuai ZhiGang. Mixed Quantum-Classical Approaches to Calculating Charge Transfer Rate Constants: Applications to Realistic Systems. ACTA PHYSICO-CHIMICA SINICA[J]. 2010, 第 3 作者  通讯作者  26(7): 1755-1760, http://www.irgrid.ac.cn/handle/1471x/897778.
[272] Wang, Dong, Chen, Liping, Zheng, Renhui, Wang, Linjun, Shi, Qiang. Communications: A nonperturbative quantum master equation approach to charge carrier transport in organic molecular crystals. JOURNAL OF CHEMICAL PHYSICS[J]. 2010, 第 5 作者132(8): http://www.irgrid.ac.cn/handle/1471x/897780.
[273] Chen, Liping, Zheng, Renhui, Shi, Qiang, Yan, YiJing. Two-dimensional electronic spectra from the hierarchical equations of motion method: Application to model dimers. JOURNAL OF CHEMICAL PHYSICS[J]. 2010, 第 3 作者132(2): http://www.irgrid.ac.cn/handle/1471x/897777.
[274] 郑仁慧, 景园园, 陈丽平, 史强. Theory of proton coupled electron transfer reactions: Assessing the born���oppenheimer approximation for the proton motion using an analytically solvable model. CHEM. PHYS.[J]. 2010, 第 4 作者379(1): 39-45, http://ir.iccas.ac.cn/handle/121111/5500.
[275] Li, Jing, Zhang, Guanxin, Zhang, Deqing, Zheng, Renhui, Shi, Qiang, Zhu, Daoben. Boron-Containing Monopyrrolo-Annelated Tetra thiafulvalene Compounds: Synthesis and Absorption Spectral/Electrochemical Responsiveness toward Fluoride Ion. JOURNAL OF ORGANIC CHEMISTRY[J]. 2010, 第 5 作者75(15): 5330-5333, http://www.corc.org.cn/handle/1471x/2413814.
[276] 南广军, 郑仁慧, 史强, 帅志刚. ������������-���������������������������������������������������������������������. 物理化学学报[J]. 2010, 第 3 作者1755-1760, http://lib.cqvip.com/Qikan/Article/Detail?id=34508399.
[277] Nan Guangjun, Zheng Renhui, Shi Qiang, Shuai Zhigang. ������������-���������������������������������������������������������������������. 物理化学学报[J]. 2010, 第 3 作者1755-1760, http://lib.cqvip.com/Qikan/Article/Detail?id=34508399.
[278] Yuan Bo, Xu Zeren, Xie Zhuojun, Shi Qiang, Zhang Xingkang, Xu Sichuan. X-Ray Fluorescence Spectrum Analysis of Chemical Element for Spider and Silkworm Silk and Its Applications. SPECTROSCOPY AND SPECTRAL ANALYSIS[J]. 2010, 第 4 作者30(7): 1983-1989, http://www.irgrid.ac.cn/handle/1471x/897779.
[279] Wang, Linjun, Li, Qikai, Shuai, Zhigang, Chen, Liping, Shi, Qiang. Multiscale study of charge mobility of organic semiconductor with dynamic disorders. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2010, 第 5 作者12(13): 3309-3314, http://dx.doi.org/10.1039/b913183c.
[280] Nan GuangJun, Zheng RenHui, Shi Qiang, Shuai ZhiGang. Mixed Quantum-Classical Approaches to Calculating Charge Transfer Rate Constants: Applications to Realistic Systems. ACTA PHYSICO-CHIMICA SINICA[J]. 2010, 第 11 作者26(7): 1755-1760, http://www.irgrid.ac.cn/handle/1471x/897778.
[281] Shi, Qiang, Geva, Eitan. A self-consistent treatment of electron transfer in the limit of strong friction via the mixed quantum classical Liouville method. JOURNAL OF CHEMICAL PHYSICS[J]. 2009, 第 1 作者  通讯作者  131(3): https://www.webofscience.com/wos/woscc/full-record/WOS:000268206800045.
[282] Wu, Yishi, Li, Yuliang, Li, Huixue, Shi, Qiang, Fu, Hongbing, Yao, Jiannian. N-type cascade electron transfer along an oxidative gradient. CHEMICAL COMMUNICATIONS[J]. 2009, 第 4 作者6955-6957, https://www.webofscience.com/wos/woscc/full-record/WOS:000271647200015.
[283] Nan, Guangjun, Shi, Qiang, Shuai, Zhigang. Nonperturbative time-convolutionless quantum master equation from the path integral approach. JOURNAL OF CHEMICAL PHYSICS[J]. 2009, 第 2 作者130(13): https://www.webofscience.com/wos/woscc/full-record/WOS:000265053200007.
[284] Xu, RuiXue, Tian, BaoLing, Xu, Jian, Shi, Qiang, Yan, YiJing. Hierarchical quantum master equation with semiclassical Drude dissipation. JOURNAL OF CHEMICAL PHYSICS[J]. 2009, 第 4 作者131(21): http://dx.doi.org/10.1063/1.3268922.
[285] Chen, Liping, Shi, Qiang. Quantum rate dynamics for proton transfer reactions in condensed phase: The exact hierarchical equations of motion approach. JOURNAL OF CHEMICAL PHYSICS[J]. 2009, 第 2 作者130(13): https://www.webofscience.com/wos/woscc/full-record/WOS:000265053200040.
[286] Shi, Qiang, Chen, Liping, Nan, Guangjun, Xu, RuiXue, Yan, YiJing. Efficient hierarchical Liouville space propagator to quantum dissipative dynamics. JOURNAL OF CHEMICAL PHYSICS[J]. 2009, 第 1 作者  通讯作者  130(8): 
[287] Shi, Qiang, Chen, Liping, Nan, Guangjun, Xu, Ruixue, Yan, YiJing. Electron transfer dynamics: Zusman equation versus exact theory. JOURNAL OF CHEMICAL PHYSICS[J]. 2009, 第 1 作者  通讯作者  130(16): 
[288] Chen, Liping, Zheng, Renhui, Shi, Qiang, Yan, YiJing. Optical line shapes of molecular aggregates: Hierarchical equations of motion method. JOURNAL OF CHEMICAL PHYSICS[J]. 2009, 第 3 作者131(9): https://www.webofscience.com/wos/woscc/full-record/WOS:000269625400015.
[289] Zheng, Renhui, Wei, Wenmei, Shi, Qiang. Density Functional Theory Study on Sum-Frequency Vibrational Spectroscopy of Arabinose Chiral Solutions. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2009, 第 3 作者113(1): 157-164, http://dx.doi.org/10.1021/jp808228e.
[290] Mcrobbie, Porscha L, Hanna, Gabriel, Shi, Qiang, Geva, Eitan. Signatures of Nonequilibrium Solvation Dynamics on Multidimensional Spectra. ACCOUNTS OF CHEMICAL RESEARCH[J]. 2009, 第 3 作者42(9): 1299-1309, https://www.webofscience.com/wos/woscc/full-record/WOS:000269861400011.
[291] Ma, YanPing, He, ShengGui, Ding, XunLei, Wang, ZheChen, Xue, Wei, Shi, Qiang. Theoretical study of intermolecular interactions in meso-tetraphenylporphyrin diacid dimer (H4TPPCl2)(2). PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2009, 第 6 作者11(14): 2543-2552, http://www.corc.org.cn/handle/1471x/2398508.
[292] Shi, Qiang, Geva, Eitan. A self-consistent treatment of electron transfer in the limit of strong friction via the mixed quantum classical Liouville method. JOURNAL OF CHEMICAL PHYSICS[J]. 2009, 第 11 作者131(3): https://www.webofscience.com/wos/woscc/full-record/WOS:000268206800045.
[293] Wu, Yishi, Li, Yuliang, Li, Huixue, Shi, Qiang, Fu, Hongbing, Yao, Jiannian. N-type cascade electron transfer along an oxidative gradient. CHEMICAL COMMUNICATIONS[J]. 2009, 第 4 作者6955-6957, https://www.webofscience.com/wos/woscc/full-record/WOS:000271647200015.
[294] Nan, Guangjun, Shi, Qiang, Shuai, Zhigang. Nonperturbative time-convolutionless quantum master equation from the path integral approach. JOURNAL OF CHEMICAL PHYSICS[J]. 2009, 第 2 作者130(13): https://www.webofscience.com/wos/woscc/full-record/WOS:000265053200007.
[295] Xu, RuiXue, Tian, BaoLing, Xu, Jian, Shi, Qiang, Yan, YiJing. Hierarchical quantum master equation with semiclassical Drude dissipation. JOURNAL OF CHEMICAL PHYSICS[J]. 2009, 第 4 作者131(21): http://dx.doi.org/10.1063/1.3268922.
[296] Chen, Liping, Shi, Qiang. Quantum rate dynamics for proton transfer reactions in condensed phase: The exact hierarchical equations of motion approach. JOURNAL OF CHEMICAL PHYSICS[J]. 2009, 第 2 作者130(13): https://www.webofscience.com/wos/woscc/full-record/WOS:000265053200040.
[297] Shi, Qiang, Chen, Liping, Nan, Guangjun, Xu, RuiXue, Yan, YiJing. Efficient hierarchical Liouville space propagator to quantum dissipative dynamics. JOURNAL OF CHEMICAL PHYSICS[J]. 2009, 第 11 作者130(8): 
[298] Shi, Qiang, Chen, Liping, Nan, Guangjun, Xu, Ruixue, Yan, YiJing. Electron transfer dynamics: Zusman equation versus exact theory. JOURNAL OF CHEMICAL PHYSICS[J]. 2009, 第 11 作者130(16): 
[299] Zheng, Renhui, Wei, Wenmei, Shi, Qiang. Density Functional Theory Study on Sum-Frequency Vibrational Spectroscopy of Arabinose Chiral Solutions. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2009, 第 3 作者113(1): 157-164, http://dx.doi.org/10.1021/jp808228e.
[300] Chen, Liping, Zheng, Renhui, Shi, Qiang, Yan, YiJing. Optical line shapes of molecular aggregates: Hierarchical equations of motion method. JOURNAL OF CHEMICAL PHYSICS[J]. 2009, 第 3 作者131(9): https://www.webofscience.com/wos/woscc/full-record/WOS:000269625400015.
[301] Mcrobbie, Porscha L, Hanna, Gabriel, Shi, Qiang, Geva, Eitan. Signatures of Nonequilibrium Solvation Dynamics on Multidimensional Spectra. ACCOUNTS OF CHEMICAL RESEARCH[J]. 2009, 第 3 作者42(9): 1299-1309, https://www.webofscience.com/wos/woscc/full-record/WOS:000269861400011.
[302] Ma, YanPing, He, ShengGui, Ding, XunLei, Wang, ZheChen, Xue, Wei, Shi, Qiang. Theoretical study of intermolecular interactions in meso-tetraphenylporphyrin diacid dimer (H4TPPCl2)(2). PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2009, 第 6 作者11(14): 2543-2552, http://www.corc.org.cn/handle/1471x/2398508.
[303] Shi, Qiang, Geva, Eitan. A comparison between different semiclassical approximations for optical response functions in nonpolar liquid solution. II. The signature of excited state dynamics on two-dimensional spectra. JOURNAL OF CHEMICAL PHYSICS[J]. 2008, 第 1 作者  通讯作者  129(12): https://www.webofscience.com/wos/woscc/full-record/WOS:000259884600042.
[304] Shi, Qiang, Geva, Eitan. A comparison between different semiclassical approximations for optical response functions in nonpolar liquid solution. II. The signature of excited state dynamics on two-dimensional spectra. JOURNAL OF CHEMICAL PHYSICS[J]. 2008, 第 11 作者129(12): https://www.webofscience.com/wos/woscc/full-record/WOS:000259884600042.

景园园  硕士研究生  070304-物理化学  80032-化学研究所

李会学  博士研究生  070304-物理化学  80032-化学研究所