Mo, Yirong - Western Michigan University

个人简介

Ph.D., Xiamen University in China, 1992 M.S., Xiamen University in China, 1989 B.S., Xiamen University in China, 1986

研究领域

Theoretical chemistry Computational chemistry Computer simulation of enzymes

近期论文

查看导师新发文章（温馨提示：请注意重名现象，建议点开原文通过作者单位确认）

Zhang, H.*, Yuan, R., Song, J., Li, X., Zeng, Y.*, Mo, Y.*, “The Side-On versus End-On Binding Modes Between Metal Cations and (NHC)AlAl(NHC)”, Organometallics, in press (2020). Lin, X., Wu, W., Mo, Y.*, “A Theoretical Perspective of Agostic Interactions in Early Transition Metal Compounds”, Coord. Chem. Rev., 419, 213401 (2020). Qi, M., Tang, C., Zhou, Z., Ma, F. *, Mo, Y. *, “Electride-Sponsored Radical-Controlled CO2 Reduction to Organic Acids: A Computational Design”, Chem. Eur. J., 26(28), 6234-6239 (2020). Zhang, H., Yuan, R., Wu, W., Mo, Y.*, “Two Push-Pull Channels Enhance the Dinitrogen Activation by Borylene Compounds”, Chem. Eur. J., 26(12), 2619-2625 (2020). (Listed as a Hot Paper with a Cover) Lin, X., Wu, W., Mo, Y.*, “How Resonance Modulates Multiply Hydrogen Bonding in Self-Assembled Systems”, J. Org. Chem., 84(22), 14805-14815 (2019). Zhang, C.*, Wang, Z., Song, J., Li, C., Mo, Y.*, “Bonding and Diels-Alder Reactions of Substituted 2-Borabicyclo(1.1.0)but-1(3)-enes: A Computational Study”, Theor. Chem. Acc., 138(9), 106 (2019). Andrés, J., Ayers, P. W., Boto, R. A., Carbó-Dorca, R., Cioslowski, J., Chermette, H., Contreras-Garcia, J., Cooper, D. L., Frenking, G., Gatti, C., Heidar-Zadeh, F., Joubert, L., Pendás, A. M., Matito, E., Mayer, I., Misquitta, A., Mo, Y., Julien Pilmé, J., Popelier, P. L. A., Rahm, M., Ramos-Cordoba, E., Salvador, P., Schwarzt, W. H. E., Shahbazian, S., Silvi, B., Solà, M., Szalewicz, K., Tognetti, V., Weinhold, F., Zins, E.-L. “Nine Question on Energy Decomposition Analysis”, J. Comput. Chem., 40(26), 2248-2283 (2019). Yan, X., Zou, K., Cao, J., Li, X., Zhao, Z., Li, Z., Wu, A., Liang, W., Mo, Y., Jiang, Y., “Single Handed Supramolecular Double Helix of Homochiral Bis(N-amidothiourea) Supported by Double Crossed C−I···S Halogen Bonds”, Nat. Comm., 10(1), 3610 (2019). Wang, C.*, Mo, Y.*, “Classical Electrostatic Interaction Is the Origin for Blue-Shifting Halogen Bonds”,Inorg. Chem., 58(13), 8577-8586 (2019). Wang, C.*, Aman, Y., Ji, X., Mo, Y.*, “Tetrel Bonding Interaction: An Analysis with the BlockLocalized Wavefunction (BLW) Approach”, Phys. Chem. Chem. Phys., 21(22), 11776-11784 (2019). Smith, C. J., Huff, A. K., Zhang, H., Mo, Y., Leopold, K. R., “A Strong Dependence of the CH3 Internal Rotation Barrier on Conformation in Thioacetic Acid: Microwave Measurements and an Energy Decomposition Analysis”, J. Chem. Phys., 150(13), 134302 (2019). Lin, X., Wu, W., Mo, Y.*, “Agostic Interactions in Early Transition Metal Complexes: Roles of Hyperconjugation, Dispersion and Steric Effect”, Chem. Eur. J., 25(26), 6591-6599 (2019). Zhang, H., Zhou, C., Mo, Y., Wu, W., “Performance of the VBSCF Method for Pericyclic and π Bond Shift Reactions”, J. Comput. Chem., 40(10), 1123-1129 (2019). Wang, C., Danovich, D., Shaik, S., Wu, W., Mo, Y.*, “Attraction between Electrophilic Caps: A Counterintuitive Case of Non-Covalent Interactions”, J. Comput. Chem., 40(9), 1015-1022 (2019). Famiano, M., Boyd, R., Kajino, T., Onaka, T., Mo, Y., “Astrophysical Sites That Can Produce Enantiomeric Amino Acids”, Symmetry, 11(1), 23 (2019). Lin, X., Jiang, X., Wu, W., Mo, Y.*, “Induction, Resonance and Secondary Electrostatic Interaction on Hydrogen Bonding in the Association of Amides and Imides”, J. Org. Chem., 83(21), 13446-13453(2018) Lin, X., Wu, W., Wiberg, K. B.*, Mo, Y.*, “The Role of Intramolecular Electron Delocalization in the CX Bond Strength in CH4-nXn (n=0-4, X= F, Cl, CN, OCH3)”, J. Phys. Chem. A, 122(38), 7716-7722(2018). Zhang, H., Cao, Z., Wu, W., Mo, Y.*, “The Transition-Metal-Like Behavior of B2(NHC)2 in the Activation of CO: HOMO-LUMO Swap Without Photoinduction”, Angew. Chem. Int. Ed., 57(40),13076-13081 (2018). Zhang, H., Wu, W., Mo, Y.*, “Tautomerism of Protonated Imidazoles: A Perspective from Ab Initio Valence Bond Theory”, Tetrahedron, 74(37), 4791-4798 (2018). (Invited Contribution) Zhang, C.*, Fan, F., Wang, Z., Song, J., Li, C., Mo, Y.*, “B-Heterocyclic Carbene Arising from Charge Shift: A Computational Verification”, Chem. Eur. J., 24(40), 10216-10223 (2018).