|
已选(0)清除
条数/页： 排序方式：
|
| Studies on hydrolysis mechanism of anticancer ruthenium drug ImH[trans-Ru(Im)Cl] via ABEEMσπ polarizable force field combined with QM and MD-FEP 期刊论文
Chemical Research in Chinese Universities, 2017, 卷号: Vol.33 No.2, 页码: 239-247
作者: Hui Li; Huiyuan Zou; Linlin Liu; Dongxia Zhao; Zhongzhi Yang
  收藏 | 浏览/下载：13/0 | 提交时间：2019/02/27
|
| Development and applications of the ABEEM fluctuating charge molecular force field in the ion-containing systems 期刊论文
中国科学(化学)(英文版), 2012, 卷号: 第12期, 页码: 2471-2484
作者: GONG LiDong
收藏 | 浏览/下载：7/0 | 提交时间：2019/03/07
|
| Development and applications of the ABEEM fluctuating charge molecular force field in the ion-containing systems 期刊论文
Science China Chemistry, 2012, 卷号: Vol.55 No.12, 页码: 2471-2484
作者: LiDong Gong
收藏 | 浏览/下载：10/0 | 提交时间：2019/02/27
|
| Electronegativity Equalization 期刊论文
PROGRESS IN CHEMISTRY, 2012, 卷号: Vol.24 No.6, 页码: 1038-1049
作者: Yang, ZZ
收藏 | 浏览/下载：2/0 | 提交时间：2019/02/27
|
| Theoretical study on the hydration of hydrogen peroxide in terms of ab initio method and atom-bond electronegativity equalization method fused into molecular mechanics 期刊论文
中国化学前沿, 2011, 卷号: 第4期, 页码: 287-299
作者: Chunyang YU; Lidong GONG; Zhongzhi YANG
收藏 | 浏览/下载：5/0 | 提交时间：2019/03/06
|
| Calculating solvation energies by means of a fluctuating charge model combined with continuum solvent model 期刊论文
Journal of Chemical Physics, 2011, 卷号: Vol.134 No.19, 页码: 194115
作者: Zhao DX; Yu L; Gong LD; Liu C; Yang ZZ.
收藏 | 浏览/下载：4/0 | 提交时间：2019/02/27
|
| Theoretical study on the hydration of hydrogen peroxide in terms of ab initio method and atom-bond electronegativity equalization method fused into molecular mechanics 期刊论文
Frontiers of Chemistry in China, 2011, 卷号: Vol.6 No.4, 页码: 287-299
作者: Chunyang Yu; Lidong Gong; Zhongzhi Yang
收藏 | 浏览/下载：2/0 | 提交时间：2019/02/27
|
| A Systemic Investigation of Hydrogen Peroxide Clusters (HO) (n = 1−6) and Liquid-State Hydrogen Peroxide: Based on Atom-Bond Electronegativity Equalization Method Fused into Molecular Mechanics and Molecular Dynamics 期刊论文
The Journal of Physical Chemistry. A, 2011, 卷号: Vol.115 No.12, 页码: 2615–2626
作者: Chun-Yang Yu and Zhong-Zhi Yang
收藏 | 浏览/下载：1/0 | 提交时间：2019/02/27 |
| Molecular Dynamics Simulations of a β-Hairpin Fragment of Protein G by Means of Atom-Bond Electronegativity Equalization Method Fused into Molecular Mechanics (ABEEMσπ/MM) 期刊论文
中国化学（英文版）, 2010, 卷号: 第11期
作者: Chen Shuling; Yang Zhongzhi
收藏 | 浏览/下载：1/0 | 提交时间：2019/03/04
|
| Molecular Dynamics Simulations of a β-Hairpin Fragment of Protein G by Means of Atom-Bond Electronegativity Equalization Method Fused into Molecular Mechanics (ABEEMδπ/MM) 期刊论文
Chinese Journal of Chemistry, 2010, 卷号: Vol.28 No.11, 页码: 2109-2118
作者: Shuling Chen; Prof. Dr. Zhongzhi Yang
收藏 | 浏览/下载：2/0 | 提交时间：2019/03/01
|
