基本信息
中国科学院大学 化学与化学工程学院
电子邮件: chenbzh@ucas.ac.cn
联系电话: 010-88256129
通信地址:玉泉路19号(甲)中国科学院研究生院
邮政编码:100049
研究领域
光化学反应机理的理论研究;
离子自由基环加成反应的理论研究;
催化反应机理的理论研究;
药物分子设计。
招生信息
招生专业
070304-物理化学(含:化学物理)
招生方向
计算化学与分子设计
教育背景
1980.9 – 1984.7 在北京大学化学系学习, 1984年7月获化学专业理学学士学位;
1984.9 – 1987.7 在北京大学技术物理系学习, 1987年7月获环境化学专业理学硕士学位;
1999.9 – 2003.6 作为在职博士生在中国科学院研究生院攻读博士学位, 2003年8月获化学专业理学博士学位。
1984.9 – 1987.7 在北京大学技术物理系学习, 1987年7月获环境化学专业理学硕士学位;
1999.9 – 2003.6 作为在职博士生在中国科学院研究生院攻读博士学位, 2003年8月获化学专业理学博士学位。
工作经历
1987.7 – 1998.1 在中国地质大学(北京)化学教研室工作;
1998.2 – 在中国科学院大学化学与化学工程学院工作。
2008.9 – 2009.3 美国斯坦福大学化学系 高级访问学者。
1998.2 – 在中国科学院大学化学与化学工程学院工作。
2008.9 – 2009.3 美国斯坦福大学化学系 高级访问学者。
教授课程
高等物理化学(一)、 化学中的电子过程、 分子光谱与分子结构、 环境水化学、 量子化学计算、 化学反应动力学
出版信息
发表论文
[1] Yang, Suyu, Zhang, Beibei, Zheng, Xiaofan, Chen, Guohui, Ju, Yiwen, Chen, BoZhen. Insight into the adsorption mechanisms of CH4, CO2, and H2O molecules on illite (001) surfaces: A first-principles study. SURFACES AND INTERFACES[J]. 2021, 23: http://dx.doi.org/10.1016/j.surfin.2021.101039.[2] Zhang, Beibei, Yang, Suyu, Li, Deqing, Hao, Mingtian, Chen, BoZhen, Li, Zengxi. Insights into the Regioselective Hydrocarboxylation of Styrenes with CO2 Controlled by the Ligand of Nickel Catalysts. ACS SUSTAINABLE CHEMISTRY & ENGINEERING[J]. 2021, 9(11): 4091-4101, https://www.webofscience.com/wos/woscc/full-record/WOS:000636758600014.[3] Han, Di, Wang, Huiqun, Wujieti, Baerlike, Zhang, Beibei, Cui, Wei, Chen, BoZhen. Insight into the drug resistance mechanisms of GS-9669 caused by mutations of HCV NS5B polymerase via molecular simulation. COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL[J]. 2021, 19: 2761-2774, http://dx.doi.org/10.1016/j.csbj.2021.04.026.[4] 何漫, 高美, 廖知常, 王雪飞, 田志远, 陈波珍. 凝固点降低法测摩尔质量实验改进. 实验室研究与探索. 2021, 40(3): 212-215, http://lib.cqvip.com/Qikan/Article/Detail?id=7104377821.[5] Wang, Junkai, Li, Deqing, Chen, Zhongjun, Wu, Zhonghua, Chen, Bozhen, Liu, Xiangfeng. A p-phenylenediamine oligomer-mediated Li-O-2 battery with an extremely low charge potential of 3.1 V. JOURNAL OF MATERIALS CHEMISTRY A[J]. 2020, 8(43): 22754-22762, https://www.webofscience.com/wos/woscc/full-record/WOS:000589418400024.[6] Zhang, Beibei, Yang, Suyu, Zheng, Xiaofan, Ju, Yiwen, Chen, BoZhen. Computational Study of Photocatalytic CO2 Reduction by a Ni(II) Complex Bearing an S2N2-Type Ligand. ORGANOMETALLICS[J]. 2020, 39(8): 1176-1186, https://www.webofscience.com/wos/woscc/full-record/WOS:000529146900006.[7] Zhu, Hongjian, Ju, Yiwen, Huang, Cheng, Chen, Fangwen, Chen, Bozhen, Yu, Kun. Microcosmic gas adsorption mechanism on clay-organic nanocomposites in a marine shale. ENERGY[J]. 2020, 197: http://dx.doi.org/10.1016/j.energy.2020.117256.[8] Han, Di, Wang, Huiqun, Cui, Wei, Zhang, Beibei, Chen, BoZhen. Computational insight into the mechanisms of action and selectivity of Afraxis PAK inhibitors. FUTURE MEDICINAL CHEMISTRY[J]. 2020, 12(5): 367-386, https://www.webofscience.com/wos/woscc/full-record/WOS:000525661600003.[9] Zhang, Beibei, Li, Yajie, Jiao, Mingyang, Ju, Yiwen, Chen, BoZhen. Insight into the origins of the reactivity and selectivity for the aminocatalytic 2+2 cycloaddition reaction. TETRAHEDRON[J]. 2019, 75(25): 3421-3431, http://dx.doi.org/10.1016/j.tet.2019.04.072.[10] Dong, Minghua, Ji, Ziyue, Zhang, Beibei, Guo, Chenchen, Jiao, Mingyang, Chen, BoZhen. A computational study into the origin of reactivity and selectivity of organocatalyzed 2+2 reactions between alpha,beta-unsaturated aldehydes and nitroolefins. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY[J]. 2019, 32(6): https://www.webofscience.com/wos/woscc/full-record/WOS:000469260700007.[11] Mu, Wenjing, Sun, Su, Zhang, Jing, Jiao, Mingyang, Wang, Wentao, Liu, Yanwei, Sun, Xiangnan, Jiang, Lang, Chen, Bozhen, Qi, Ting. Advantage of arch-shaped structure on transistor performances over linear-shaped structure in dibenzothienopyrrole semiconductors. ORGANIC ELECTRONICS[J]. 2018, 61: 78-86, http://dx.doi.org/10.1016/j.orgel.2018.06.044.[12] Jiao, Mingyang, Ju, Yiwen, Chen, BoZhen. Energy transfer or electron transfer?-DFT study on the mechanism of 2+2 cycloadditions induced by visible light photocatalysts. TETRAHEDRON LETTERS[J]. 2018, 59(17): 1651-1660, http://dx.doi.org/10.1016/j.tetlet.2018.03.044.[13] Jiao, Mingyang, Han, Di, Zhang, Beibei, Chen, BoZhen, Ju, Yiwen. A theoretical study on 2+2 cycloaddition reactions under visible light irradiation induced by energy transfer. COMPUTATIONAL AND THEORETICAL CHEMISTRY[J]. 2017, 1117: 47-54, http://dx.doi.org/10.1016/j.comptc.2017.07.012.[14] Wang, Jin, Han, Yuzhen, Chen, Bozhen, Guo, Guangjun, Hou, Quanlin, Zhang, Zhigang. Mechanisms of methane generation from anthracite at low temperatures: Insights from quantum chemistry calculations. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY[J]. 2017, 42(30): 18922-18929, http://dx.doi.org/10.1016/j.ijhydene.2017.06.090.[15] Guo, Chenchen, Jiao, Mingyang, Wang, Huiqun, Li, Yajie, Chen, BoZhen. Theoretical Studies on the Origins of the Regio- and Stereoselectivities of Nickel Catalyzed Intermolecular 2+2 Cycloaddition of Conjungated Enynes with Alkenes. CHEMISTRYSELECT[J]. 2016, 1(13): 3914-3923, [16] Gao, Xuejiao J, Shen, Xiaomei, Chen, BoZhen, Gao, Xingfa. Improved Description for the Structures of Fullerenols C-60(OH)(n) (n=12-48) and C-2v(9)-C-82(OH)(x) (x=14-58). JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2016, 120(21): 11709-11715, [17] Wang, Huiqun, Cui, Wei, Guo, Chenchen, Chen, BoZhen, Ji, Mingjuan. Molecular modeling study on the drug resistance mechanism of NS5B polymerase to TMC647055. BIOCHEMISTRY AND CELL BIOLOGY[J]. 2016, 94(2): 147-158, https://www.webofscience.com/wos/woscc/full-record/WOS:000375402900006.[18] Li, Yajie, Guo, Chenchen, Chen, BoZhen. A theoretical study on intermolecular 2+2 radical cation cycloaddition reactions and the competition between concerted and stepwise mechanisms. COMPUTATIONAL AND THEORETICAL CHEMISTRY[J]. 2016, 1078: 163-172, http://dx.doi.org/10.1016/j.comptc.2016.01.004.[19] Gao, Xuejiao, Chen, BoZhen, Gao, Xingfa. Isolated aromatic patches as a rule to select metallofullerene multiple adducts with high chemical stabilities. CARBON[J]. 2016, 96: 980-986, http://dx.doi.org/10.1016/j.carbon.2015.10.053.[20] Gao, Xuejiao, Sun, Baoyun, Zhao, Yuliang, Chen, BoZhen, Gao, Xingfa. Divalent metals can reside on bonds in fullerenes. DALTON TRANSACTIONS[J]. 2015, 44(20): 9561-9568, http://ir.ihep.ac.cn/handle/311005/228515.[21] Wang, Huiqun, Guo, Chenchen, Chen, BoZhen, Ji, Mingjuan. Computational study on the drug resistance mechanism of HCV NS5B RNA-dependent RNA polymerase mutants V494I, V494A, M426A, and M423T to Filibuvir. ANTIVIRAL RESEARCH[J]. 2015, 113: 79-92, http://dx.doi.org/10.1016/j.antiviral.2014.11.005.[22] Wang, Huiqun, Geng, Lingling, Chen, BoZhen, Ji, Mingjuan. Computational study on the molecular mechanisms of drug resistance of Narlaprevir due to V36M, R155K, V36M+R155K, T54A, and A156T mutations of HCV NS3/4A protease. BIOCHEMISTRY AND CELL BIOLOGY[J]. 2014, 92(5): 357-369, [23] Guo, Chenchen, Yuan, Jianhua, Chen, BoZhen, Tian, Zhiyuan. A theoretical study on the competing mechanisms and regioselectivity of the intermolecular radical anion 2+2 cycloadditions of phenyl vinyl sulfone with enones. COMPUTATIONAL AND THEORETICAL CHEMISTRY[J]. 2014, 1028: 27-33, http://dx.doi.org/10.1016/j.comptc.2013.11.026.[24] Guo, Chenchen, Wang, Huiqun, Chen, BoZhen, Tian, Zhiyuan. A computational investigation into the substituent effect on the chemo- and stereoselectivity of crossed intermolecular radical anion 2+2 cycloadditions of enones. RSC ADVANCES[J]. 2014, 4(108): 63475-63484, https://www.webofscience.com/wos/woscc/full-record/WOS:000345701500084.[25] Wang Huiqun, Geng Lingling, Chen BoZhen, Ji Mingjuan. Computational study on the molecular mechanisms of drug resistance of Narlaprevir due to V36M, R155K, V36M+R155K, T54A, and A156T mutations of HCV NS3/4A protease. BIOCHEMISTRY AND CELL BIOLOGY-BIOCHIMIE ET BIOLOGIE CELLULAIRE[J]. 2014, 92(5): 357-369, [26] Zhang, Dongwen, Chen, BoZhen, Huang, MingBao, Meng, Qingyong, Tian, Zhiyuan. Photodissociation mechanisms of the CO22+ dication studied using multi-state multiconfiguration second-order perturbation theory. JOURNAL OF CHEMICAL PHYSICS[J]. 2013, 139(17): https://www.webofscience.com/wos/woscc/full-record/WOS:000326922300019.[27] Yeong, HuiXian, Xi, HongWei, Li, Yongxin, Kunnappilly, Sophy Bhasi, Chen, Bozhen, Lau, KaiChung, Hirao, Hajime, Lim, Kok Hwa, So, CheukWai. Zwitterionic Base-Stabilized Digermadistannacyclobutadiene and Tetragermacyclobutadiene. CHEMISTRY-A EUROPEAN JOURNAL[J]. 2013, 19(43): 14726-14731, https://www.webofscience.com/wos/woscc/full-record/WOS:000330288400036.[28] 袁建华, 陈波珍. 苯基取代的六元碳链双烯酮阴离子自由基的分子内环加成反应的理论研究. 中国科学院研究生院学报[J]. 2013, 30(2): 187-193, [29] Geng, Lingling, Gao, Jian, Cui, Wei, Tang, Yancheng, Ji, Mingjuan, Chen, Bozhen. Computational insights into the selectivity mechanism of APP-IP over matrix metalloproteinases. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN[J]. 2012, 26(12): 1327-1342, https://www.webofscience.com/wos/woscc/full-record/WOS:000312885200003.[30] Dong, Hua, Meng, Qingyong, Chen, BoZhen, Wu, YanBo. Theoretical studies on the multiple metal-metal bonds in the bimetallic molecules and the ultrashort V-Mn bonds in the complexes. JOURNAL OF ORGANOMETALLIC CHEMISTRY[J]. 2012, 717: 108-115, http://dx.doi.org/10.1016/j.jorganchem.2012.07.035.[31] Yuan, Jianhua, Zhang, Qingli, Chen, Bozhen. A theoretical study on intramolecular anion radical 2+2 cyclobutanation of bis(enones): Dramatic effects of the electron-deficient enone partners on the yielding of cyclobutane ring systems. COMPUTATIONAL AND THEORETICAL CHEMISTRY[J]. 2012, 996: 110-116, http://dx.doi.org/10.1016/j.comptc.2012.07.024.[32] Dong, Hua, Chen, BoZhen, Huang, MingBao, Lindh, Roland. The bergman cyclizations of the enediyne and its N-substituted analogs using multiconfigurational second-order perturbation theory. JOURNAL OF COMPUTATIONAL CHEMISTRY[J]. 2012, 33(5): 537-549, [33] Guo, Chenchen, Cui, Lijie, Chen, Bozhen, Yuan, Jianhua, Tian, Zhiyuan. A theoretical study on the stereoconvergency of the intramolecular radical cation 2+2 cycloadditions of bis(styrenes). RSC ADVANCES[J]. 2012, 2(26): 9932-9937, https://www.webofscience.com/wos/woscc/full-record/WOS:000312136800030.[34] Dong, Hua, Chen, BoZhen, Huang, MingBao, Chang, HaiBo. O-Loss Photodissociation of the OCS+ Ion in the Low-Lying Electronic States Studied Using Multiconfiguration Second-Order Perturbation Theory. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY[J]. 2011, 111(14): 3578-3587, [35] Zhang, QingLi, Chen, BoZhen. DFT studies on the cascade rearrangement reactions of the cubylcarbinyl radical. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY[J]. 2011, 24(2): 147-154, [36] Wu, Chengyin, Yang, Yudong, Wu, Zhifeng, Chen, Bozhen, Dong, Hua, Liu, Xianrong, Deng, Yongkai, Liu, Hong, Liu, Yunquan, Gong, Qihuang. Coulomb explosion of nitrogen and oxygen molecules through non-Coulombic states. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2011, 13(41): 18398-18408, https://www.webofscience.com/wos/woscc/full-record/WOS:000295731100018.[37] 董华, 陈波珍, 于淑媛. C6H5CN^+离子不同电子态的去CN光解离的理论研究. 中国科学院研究生院学报. 2011, 28(4): 448-456, http://lib.cqvip.com/Qikan/Article/Detail?id=38415356.[38] Zhang, QingLi, Chen, BoZhen. Theoretical studies of the effects of substituents on the ring opening reactions for the cyclopropylcarbinyl radical. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM[J]. 2010, 941(1-3): 10-21, http://www.corc.org.cn/handle/1471x/2411263.[39] Dong, Hua, Chen, BoZhen, Huang, MingBao, Yu, ShuYuan. Electronic states of the C6H5CN+ ion studied using multiconfiguration wave functions. MOLECULAR PHYSICS[J]. 2010, 108(15): 1991-1997, [40] Zhang, Qingli, Li, Zengxi, Chen, Bozhen. Theoretical study of intramolecular anion radical cycloaddition of the phenyl-substituted bis(enone). JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM[J]. 2009, 901(1-3): 202-209, http://www.corc.org.cn/handle/1471x/2396314.[41] Li, Hua, Chen, BoZhen, Huang, MingBao. CASPT2 investigation of ethane dissociation and methyl recombination using canonical variational transition state theory. INTERNATIONAL JOURNAL OF CHEMICAL KINETICS[J]. 2008, 40(4): 161-173, http://www.corc.org.cn/handle/1471x/2389159.[42] Chang, HaiBo, Chen, BoZhen, Huang, MingBao. Low-lying electronic states and Cl-loss photodissociation of the C2H3Cl+ ion studied using multiconfiguration second-order perturbation theory. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2008, 112(8): 1688-1693, http://www.corc.org.cn/handle/1471x/2388023.[43] Chang, HaiBo, Chen, BoZhen, He, YuJian. A theoretical study for the highly charged cations of C2H2 with and. without external electric fields. ACTA CHIMICA SINICA[J]. 2008, 66(3): 308-314, http://www.corc.org.cn/handle/1471x/2392450.[44] Chang, HaiBo, Chen, BoZhen, He, YuJian. A theoretical study for the highly charged cations of C2H2 with and. without external electric fields. ACTA CHIMICA SINICA[J]. 2008, 66(3): 308-314, http://www.corc.org.cn/handle/1471x/2392450.[45] Chen, BoZhen, Chang, HaiBo, Huang, MingBao. Dissociation of the OCS+ ion in low-lying electronic states studied using multiconfiguration second-order perturbation theory. JOURNAL OF CHEMICAL PHYSICS[J]. 2006, 125(5): http://www.corc.org.cn/handle/1471x/2378891.[46] 陈波珍. 自由基和双自由基反应的反应机理理论研究. 2003, http://ir.iccas.ac.cn/handle/121111/32088.
指导学生
已指导学生
常海波 硕士研究生 070304-物理化学
张庆利 博士研究生 070304-物理化学(含:化学物理)
董华 博士研究生 070304-物理化学
现指导学生
袁建华 硕士研究生 070304-物理化学
郭辰辰 硕士研究生 070304-物理化学
耿令令 博士研究生 070304-物理化学
王惠群 硕士研究生 070304-物理化学
张东文 博士研究生 070304-物理化学