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个人简介

1993-1997年四川师范大学化学系化学专业本科学习,获学士学位。 1997-2002年在四川大学化学学院物理化学专业硕博连读,获理学博士学位。 2002-2004年南京大学化学化工学院博士后流动站,在江元生院士和黎书华教授的指导下进行酶催化反应机理的理论研究。 2004年9月至今 四川大学化学学院工作。 2004年12月-2014年6月 四川大学化学学院副教授。 2014年7月至今 四川大学化学学院教授。 2007,1–4, 7–9; 2008,7–10; 2010, 1–3; 2010,7–10; 2011,1-3; 2012,7-9; 2013,1-3 多次赴香港中文大学、香港城市大学学术访问合作研究

研究领域

1. 材料分子设计与模拟: 主要研究新型材料分子结构和性质, 包括生物材料、含能材料、半导体材料, 无机非线性光学材料等。探索影响材料性能的因素, 为新材料分子合成提供策略和候选物。近期主要开展了组织诱导性骨和软骨修复生物材料高通量设计筛选和性质研究和与实验化学家合作研究非中心对称无机晶体的电子结构。 2.有机催化反应机理的理论研究: 主要研究有机催化反应机理的加速机制,近期集中于研究氢键促进的有机催化反应和构建不对称催化反应中的立体化学模型

近期论文

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Y.-H. Wang, J.-S. Tian, P.-W. Tan, Q. Cao, X.-X. Zhang, Z.-Y. Cao, F. Zhou, X. Wang*, and J. Zhou*. Regiodivergent Intramolecular Nucleophilic Addition of Ketimines for the Diverse Synthesis of Azacycles. Angew. Chem. Int. Ed. 2020, 59, 1634 –1643. P.-G. Ding, F. Zhou, X. Wang*, Q.-H. Zhao, J.-S. Yu and J. Zhou*. H-Bond donor-directed switch of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins. Chem. Sci. 2020, 11, 3852–3861. X.-Y. Zhao, Z. Y. Xue, X. Wang*, K. F. Wang*, D. G. Xu, Molecular Docking and Molecular Dynamics Simulation Studies on Adsorption/Desorption Behavior of Bone Morphogenetic Protein-7 on β-Tricalcium Phosphate Surface. Phys. Chem. Chem. Phys. 2020, 22, 16747—16759. C. F. Hu, Z. Y. Xue, X. Wang*, D. G. Xu*, Molecular Dynamics Exploration of the Amorphous Surface Structure and Properties of the Biomimetic β-Tricalcium Phosphate, Appl. Surf. Sci., 2019, 484, 72-82. L. Wang, F. Yang, X. Y. Zhao, L. Huang, D. J. Gao, J. Bi,* X. Wang*, and Guohong Zou*, Rb3SbF3(NO3)3: an excellent antimony nitrate nonlinear optical material with a strong second harmonic generation response fabricated by a rational multi-component design, Dalton Trans., 2019, 48, 15144–15150. Q. Wang, L. Wang, X. Y. Zhao, L. Huang,* D. J. Gao, J. Bi, X. Wang*, and Guohong Zou*, Centrosymmetric K2SO4·(SbF3)2 and noncentrosymmetric Rb2SO4·(SbF3)2 resulting from cooperative effects of lone pair and cation size, Inorg. Chem. Front., 2019, 6, 3125-3132. Q. Xie, Z. Y. Xue, H. J. Gu, C. F. Hu, M. L.Yang, X. Wang*, D. G. Xu*, Molecular Dynamics Exploration of Ordered-to-Disordered Surface Structures of Biomimetic Hydroxyapatite Nanoparticles, J. Phys. Chem. C 2018, 122, 6691−6703. Z. Q. Tao, X. Wang*, Y. Wei, L. Lv, M. Yang* A theoretical study of molecular structure, optical properties and bond activation of energetic compound FOX-7 under intense electric fields, Chem. Phys. 2017, 483–484, 122–131. Y. Wei, X.Q. Wang, X. Wang*, Z. Q. Tao, Y.Q. Cui, M. Yang* A theoretical study of the activation of nitromethane under applied electric fields, RSC Adv. 2016, 6, 24712–24718. Y. Shang, C.C. Sun, G.L. Zhang*, Z. D. Yang, X. Wang* Electronic and transport properties of [V(Bz)2]n@SWCNT and [V(Bz)2]n@DWCNT nanocables, RSC Adv. 2016, 6, 44041–44049. X.-P. Zeng, Z.-Y. Cao, X. Wang, L. Chen, F. Zhou, F. Zhu, C.-H. Wang, J. Zhou* Activation of chiral (Salen)AlCl complex by phosphorane for highly enantioselective cyanosilylation of ketones and enones, J. Am. Chem. Soc. 2016, 138, 416-425. Yu, J.-S; Liu,Y.-L.; Tang, J. Wang, X.*, Zhou, J.* Highly Efficient “On Water” catalyst-free nucleophilic addition reactions using difluoroenoxysilanes: dramatic fluorine effects. Angew. Chem. Int. Ed. 2014, 53, 9512– 9516. Yang, Y.; Wu, R. Wang, X.* Xu, X. Li, Z.; Li, K.; Peng, Q.* Isoindigo fluorination to enhance photovoltaic performance of donor–acceptor conjugated copolymers, Chem. Commun.2014, 50, 439–441. Ji, C.-B.; Cao, Z.-Y.; Wang, X.*; Wu, D.-Y.; Zhou J. * A catalyst-Free, one-pot three-component aminomethylation of a-substituted nitroacetates: theoretical and experimental studies into the rate-accelerating effects of the solvent methanol, Chem. Asian J. 2013, 8, 877–882. Jiao, S.-Y.; Peng,L.-L.; Li K. *; Xie, Y.-M.; Ao, M.-Z.; Wang, X. *; Yu, X.-Q.* , A BINOL-based ratiometric fluorescent sensor for Zn2+and in situ generated ensemble for selective recognitionof histidine in aqueous solution, Analyst 2013, 138, 5762-5768. Wang, X.;Lau, K.-C.* Theoretical investigations on charge-transfer properties of novel high mobility n‑channel organic semiconductors – diazapentacene derivatives, J. Phys. Chem. C 2012, 116, 22749–22758. Yang, T.; An, J. J; Wang, X.*; Wu, D. Y.; Chen, W. B., Fossey, J. S.* , A theoretical exploration of unexpected amine…p interactions Phys. Chem. Chem. Phys. 2012, 14, 10747–10753. Liu, Y. L.; Shi, T. D.; Zhou, F.; Zhao, X. L.; Wang, X.*; Zhou, J.*, Organocatalytic asymmetric strecker reaction of di- and trifluoromethyl ketoimines. remarkable fluorine effect, Org. Lett. 2011, 13,3826–3829.

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