J. Chem. Theory Comput.
| 中国学者近期发表的论文 | |
|---|---|
| 1. | Author: Journal: |
| 2. | Extended Adaptive Biasing Force Algorithm. An On-the-Fly Implementation for Accurate Free-Energy Calculations. Author: Fu H, Shao X, Chipot C, Cai W. Journal: J Chem Theory Comput. 2016 Jul 20. [Epub ahead of print] |
| 3. | Monte Carlo Tightly Bound Ion Model: Predicting Ion-Binding Properties of RNA with Ion Correlations and Fluctuations. Author: Sun LZ, Chen SJ. Journal: J Chem Theory Comput. 2016 Jul 12;12(7):3370-81. doi: 10.1021/acs.jctc.6b00028. Epub 2016 Jun 17. |
| 4. | From Classical to Quantum and Back: A Hamiltonian Scheme for Adaptive Multiresolution Classical/Path-Integral Simulations. Author: Kreis K, Tuckerman ME, Donadio D, Kremer K, Potestio R. Journal: J Chem Theory Comput. 2016 Jul 12;12(7):3030-9. doi: 10.1021/acs.jctc.6b00242. Epub 2016 Jun 8. |
| 5. | Examining the Contributions of Image-Charge Forces to Charge Reversal: Discrete Versus Continuum Modeling of Surface Charges. Author: Wang ZY, Ma Z. Journal: J Chem Theory Comput. 2016 Jun 14;12(6):2880-8. doi: 10.1021/acs.jctc.6b00057. Epub 2016 May 20. |
| 6. | Ionization Energies, Electron Affinities, and Polarization Energies of Organic Molecular Crystals: Quantitative Estimations from a Polarizable Continuum Model (PCM)-Tuned Range-Separated Density Functional Approach. Author: Sun H, Ryno S, Zhong C, Ravva MK, Sun Z, Körzdörfer T, Brédas JL. Journal: J Chem Theory Comput. 2016 Jun 14;12(6):2906-16. doi: 10.1021/acs.jctc.6b00225. Epub 2016 May 26. |
| 7. | Rational Design of Methodology-Independent Metal Parameters Using a Nonbonded Dummy Model. Author: Jiang Y, Zhang H, Tan T. Journal: J Chem Theory Comput. 2016 Jul 12;12(7):3250-60. doi: 10.1021/acs.jctc.6b00223. Epub 2016 Jun 7. |
| 8. | Accurate Evaluation of Ion Conductivity of the Gramicidin A Channel Using a Polarizable Force Field without Any Corrections. Author: Peng X, Zhang Y, Chu H, Li Y, Zhang D, Cao L, Li G. Journal: J Chem Theory Comput. 2016 Jun 14;12(6):2973-82. doi: 10.1021/acs.jctc.6b00128. Epub 2016 May 19. |
| 9. | Simulation of Vacuum UV Absorption and Electronic Circular Dichroism Spectra of Methyl Oxirane: The Role of Vibrational Effects. Author: Hodecker M, Biczysko M, Dreuw A, Barone V. Journal: J Chem Theory Comput. 2016 Jun 14;12(6):2820-33. doi: 10.1021/acs.jctc.6b00121. Epub 2016 May 26. |
| 10. | Critical Assessment of Time-Dependent Density Functional Theory for Excited States of Open-Shell Systems: II. Doublet-Quartet Transitions. Author: Li Z, Liu W. Journal: J Chem Theory Comput. 2016 Jun 14;12(6):2517-27. doi: 10.1021/acs.jctc.5b01219. Epub 2016 May 17. |
| 同类著名期刊名称 | 影响因子 |
|---|---|
| PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 3.573 |
| CHEMPHYSCHEM | 3.412 |
| JOURNAL OF CHEMICAL PHYSICS | 3.333 |
| JOURNAL OF PHYSICAL CHEMISTRY A | 2.946 |
| CHEMICAL PHYSICS LETTERS | 2.337 |
| CHEMICAL PHYSICS | 1.896 |
| MOLECULAR PHYSICS | 1.819 |
| JOURNAL OF MOLECULAR LIQUIDS | 1.580 |
| EUROPEAN PHYSICAL JOURNAL D | 1.476 |
| MOLECULAR SIMULATION | 1.328 |