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浏览/检索结果: 共4条，第1-4条 帮助 限定条件 专题：厦门大学    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 Concerted or Stepwise Mechanism? New Insight into the Water-Mediated Neutral Hydrolysis of Carbonyl Sulfide 期刊论文 http://dx.doi.org/10.1021/jp5021559, 2014 Li, Xiao-Hong; Ren, Si-Jia; Wei, Xi-Guang; Zeng, Yi; Gao, Guo-Wei; Ren, Yi; Zhu, Jun; Lau, Kai-Chung; Li, Wai-Kee; 朱军 收藏  |  浏览/下载：4/0  |  提交时间：2015/07/22 REACTION-CENTER REHYBRIDIZATION  LOW-TEMPERATURE HYDROLYSIS  CONTINUUM MODEL-CALCULATIONS  AB-INITIO  ALUMINA CATALYSTS  COS HYDROLYSIS  SECONDARY-AMINES  FREE-ENERGY  GAS-PHASE  HYDRATION   THE MECHANISM OF ACID-CATALYZED DECARBOXYLATION OF PYRROLE-2-CARBOXYLIC ACID: INSIGHTS FROM CLUSTER-CONTINUUM MODEL CALCULATIONS 期刊论文 http://dx.doi.org/10.1142/S021963361350017X, 2013 Liang, Jinxia; Wang, Binju; Cao, Zexing; 曹泽星 收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22 PHYSICAL ORGANIC-CHEMISTRY  HYDRATION FREE-ENERGY  AQUEOUS-SOLUTION  CARBONIC-ACID  RATE ACCELERATION  HYDROLYSIS MECHANISM  TWISTED AMIDES  WATER  SOLVATION  FORMAMIDE   Electronic Properties and Desolvation Penalties of Metal Ions Plus Protein Electrostatics Dictate the Metal Binding Affinity and Selectivity in the Copper Efflux Regulator 期刊论文 http://dx.doi.org/10.1021/ja103742k, 2010 Rao, Li; Cui, Qiang; Xu, Xin; 徐昕 收藏  |  浏览/下载：55/0  |  提交时间：2015/07/22 MOLECULAR-DYNAMICS SIMULATIONS  AB-INITIO PSEUDOPOTENTIALS  FREE-ENERGY SIMULATIONS  QM/MM METHODS  BIOMOLECULAR SYSTEMS  TRANSITION-ELEMENTS  ENZYME-REACTIONS  INSIGHTS  SOLVATION  HYDRATION   Mechanism of Acid-Catalyzed Hydrolysis of Formamide from Cluster-Continuum Model Calculations: Concerted versus Stepwise Pathway 期刊论文 http://dx.doi.org/10.1021/jp106560s, 2010 Wang, BJ; Cao, ZX; 曹泽星 收藏  |  浏览/下载：5/0  |  提交时间：2013/12/12 BETA-LACTAM ANTIBIOTICS  SOLVATION FREE-ENERGY  AMIDE HYDROLYSIS  AB-INITIO  ALKALINE-HYDROLYSIS  AQUEOUS-SOLUTION  PROMOTED HYDROLYSIS  MOLECULAR-DYNAMICS  THEORETICAL CALCULATION  PROTON-EXCHANGE