| 论文题目 |
刊物名称 |
刊物国家 |
收录情况 |
卷期 |
排名 |
| Origins of Stereoselectivity in the Hydrogenation of Ketones Catalyzed by Ru Catalyst: Insights from a Computational Study. |
Dalton Trans. |
国外 |
SCI |
42(6) |
通讯联系人 |
| Molecular Dynamics Simulations of the Detoxification of Paraoxon Catalyzed by Phosphotriesterase. |
J. Comput. Chem. |
国外 |
SCI |
30(15) |
1 |
| CO Assisted N2 Functionalization Activated by Dinuclear Hafnium Complex: A DFT Mechanistic Exploration. |
Phys. Chem. Chem. Phys. |
国外 |
SCI |
15(3) |
2 |
| Molecular Dynamics Studies of the Antimicrobial Peptides Piscidin 1 and Its Mutants with a DOPC Lipid Bilayer. |
Biopolymers |
国外 |
SCI |
97 (12) |
2 |
| Which is the Proton-shuttle in Isoxanthopterin Deaminase? QM/MM MD Understanding. |
J. Theor. Comput. Chem. |
国外 |
SCI |
12(8) |
1 |
| Mechanism investigation of Ketone Hydrogenation Catalyzed by Ruthenium Bifunctional Catalysts: Insights from a DFT Study. |
Phys. Chem. Chem. Phys. |
国外 |
SCI |
14 (17) |
1 |
| How the Methanol Assists the Hydrogen Transfer in Pd-catalyzed Cyclocarbonylation of Allylic Alcohols? Insights from a DFT Study. |
Chem. Lett. |
国外 |
SCI |
41 (7) |
通讯联系人 |
| Hyperpolarizabilities of Chelidamic Acid Complexes Mm(C7H3O5N)n (M=Cu, Ag): Theoretical Analysis. |
Chinese J. Chem. |
国内 |
SCI |
27 |
1 |
