陳波珍

陳波珍，女，教授，中國科學院大學化學與化學工程學院博導。

基本介紹

• 中文名：陳波珍
• 職業：中國科學院大學化學與化學工程學院博導
• 職稱：教授

人物經歷

教育背景

1980.9 – 1984.7 在北京大學化學系學習, 1984年7月獲化學專業理學學士學位；

1984.9 – 1987.7 在北京大學技術物理系學習, 1987年7月獲環境化學專業理學碩士學位；

1999.9 – 2003.6 作為在職博士生在中國科學院研究生院攻讀博士學位, 2003年8月獲化學專業理學博士學位。

工作經歷

987.7 – 1998.1 在中國地質大學（北京）化學教研室工作；

1998.2 – 在中國科學院大學化學與化學工程學院工作。

2008.9 – 2009.3 美國史丹福大學化學系 高級訪問學者。

研究方向

光化學反應機理的理論研究；

離子自由基環加成反應的理論研究；

催化反應機理的理論研究；

藥物分子設計。

教授課程

高等物理化學（一）、 化學中的電子過程、 分子光譜與分子結構、 環境水化學、 量子化學計算、 化學反應動力學

發表論文

[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, 王雪飛, 田志遠, 陳波珍. 凝固點降低法測摩爾質量實驗改進. 實驗室研究與探索. 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] 袁建華, 陳波珍. 苯基取代的六元碳鏈雙烯酮陰離子自由基的分子內環加成反應的理論研究. 中國科學院研究生院學報[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] 董華, 陳波珍, 於淑媛. C6H5CN^＋離子不同電子態的去CN光解離的理論研究. 中國科學院研究生院學報. 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] 陳波珍. 自由基和雙自由基反應的反應機理理論研究. 2003, http://ir.iccas.ac.cn/handle/121111/32088.