| 论文 |
| 1 |
Gao X-C, Hao Q, Wang C-S*, Improved Polarizable Dipole–Dipole Interaction Model for Hydrogen Bonding, Stacking, T-Shaped, and X–H•••π Interactions, J. Chem. Theory Comput. 2017, 13, 2730-2741. |
| 2 |
Hao J-J, Wang C-S*, Rapid Evaluation of the Interaction Energies for Carbohydrate-Containing Hydrogen-Bonded Complexes via the Polarizable Dipole-Dipole Interaction Model Combined with NBO charge or AM1 charge, RSC Adv. 2015, 5: 6452-6461. |
| 3 |
Li S-S, Huang C-Y, Hao J-J, Wang C-S*, A Polarizable Dipole-Dipole Interaction Model for Evaluation of the Interaction Energy for N–H∙∙∙O=C and C–H∙∙∙O=C Hydrogen-Bonded Complexes, J. Comput. Chem. 2014, 35(6): 415-426. |
| 4 |
Li Y, Wang C-S*, Rapid evaluation of the binding energies between peptide amide and DNA base, J Comput Chem 2011, 32(13): 2765-2773 |
| 5 |
Sun C-L, Jiang X-N, Wang C-S*, An analytic potential energy function for the amide-amide and amide-water intermolecular hydrogen bonds in peptides, J Comput Chem 2009, 30(15): 2567-2575 |
| 6 |
Wang C-S*, Zhang Y, Gao K, Yang Z-Z, A new scheme for determining the intramolecular seven-membered ring N-H…O=C hydrogen-bonding energies of glycine and alanine peptides, J Chem Phys 2005, 123: 024307-1~ 024307-8 |
| 7 |
Wang R, Zhang X-H, Chen S-J, Yu X, Wang C-S, Beach D B, Wu Y-D*, Xue Z-L*, Reactions of d0 group 4 amides with dioxygen. Preparation of unusual oxo aminoxy complexes and theoretical studies of their formation, J Am Chem Soc 2005, 127(14): 5204-5211 |
| 8 |
Liu H-C, Wang C-S, Guo W, Wu Y-D*, Yang S*, Formation and decomposition of distonic o-, m-, p-benzyne radical cations from photolysis of Mg+( o-, m-, p-C6H4F2), J Am Chem Soc 2002, 124(14): 3794-3798 |
| 9 |
Wang C-S, Yang Z-Z*, Atom–bond electronegativity equalization method. II. Lone-pair electron model, J Chem Phys 1999, 110(13): 6189-6197 |
| 10 |
Yang Z-Z*, Wang C-S, Atom-bond electronegativity equalization method. 1. Calculation of the charge distribution in large molecules, J Phys Chem A 1997, 101: 6315-6321 |