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浏览/检索结果: 共5条，第1-5条 帮助 限定条件 发表日期：2016    专题：北京大学    第一署名单位    第一作者单位    通讯作者单位     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Simultaneous Optimization of Biomolecular Energy Functions on Features from Small Molecules and Macromolecules 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016 Park, Hahnbeom; Bradley, Philip; Greisen, Per, Jr.; Liu, Yuan; Mulligan, Vikram Khipple; Kim, David E.; Baker, David; DiMaio, Frank 收藏  |  浏览/下载：5/0  |  提交时间：2017/12/03 FORCE-FIELD  SIDE-CHAIN  DYNAMICS SIMULATIONS  PROTEIN SIMULATIONS  POTENTIAL FUNCTIONS  LIQUID WATER  PREDICTION  MODEL  SOLVENT  SPECIFICITY   Solvation structure around the Li+ ion in succinonitrile-lithium salt plastic crystalline electrolytes 期刊论文 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016 Shen, Yuneng; Deng, Gang-Hua; Ge, Chuanqi; Tian, Yuhuan; Wu, Guorong; Yang, Xueming; Zheng, Junrong; Yuan, Kaijun 收藏  |  浏览/下载：3/0  |  提交时间：2017/12/03 VIBRATIONAL-ENERGY  AQUEOUS-SOLUTIONS  SPECTROSCOPY  LIQUID  PHASE  SCATTERING  BATTERIES  SPECTRA   Ion Pairing in Alkali Nitrate Electrolyte Solutions 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY B, 2016 Xie, Wen Jun; Zhang, Zhen; Gao, Yi Qin 收藏  |  浏览/下载：2/0  |  提交时间：2017/12/03 MOLECULAR-DYNAMICS  AQUEOUS-SOLUTIONS  HOFMEISTER SERIES  SIMULATION  WATER  CRYSTALLIZATION  HYDRATION  POLARIZATION  MONOVALENT  SOLVATION   Influence of Thiophene Moiety on the Excited State Properties of Push-Pull Chromophores 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY C, 2016 Li, Yang; Hu, Jiangpu; He, Guiying; Zhu, Huaning; Wang, Xian; Guo, Qianjin; Xia, Andong; Lin, Yuze; Wang, Jiayu; Zhan, Xiaowei 收藏  |  浏览/下载：6/0  |  提交时间：2017/12/04 POLYMER SOLAR-CELLS  DONOR-ACCEPTOR HETEROJUNCTIONS  CHARGE SEPARATION  PHOTOPHYSICAL PROPERTIES  PHOTOVOLTAIC BLENDS  ENERGY-TRANSFER  SOLVATION  MOLECULES  ABSORPTION  RELAXATION   The Anion Effect on Li+ Ion Coordination Structure in Ethylene Carbonate Solutions 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2016 Jiang, Bo; Ponnuchamy, Veerapandian; Shen, Yuneng; Yang, Xueming; Yuan, Kaijun; Vetere, Valentina; Mossa, Stefano; Skarmoutsos, Ioannis; Zhang, Yufan; Zheng, Junrong 收藏  |  浏览/下载：2/0  |  提交时间：2017/12/04 NONAQUEOUS ELECTROLYTE-SOLUTIONS  PROPYLENE CARBONATE  LITHIUM PERCHLORATE  SOLVENT INTERACTION  SOLVATION  BATTERIES  MIXTURES  NMR