QQ客服 官方微博 反馈留言

浏览/检索结果: 共8条，第1-8条 帮助 限定条件 发表日期：2015     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 Effects of drug-resistant mutations on the dynamic properties of HIV-1 protease and inhibition by Amprenavir and Darunavir 期刊论文 SCIENTIFIC REPORTS, 2015, 卷号: 5 作者:  Yu, Yuqi;  Wang, Jinan;  Shao, Qiang;  Shi, Jiye;  Zhu, Weiliang 收藏  |  浏览/下载：9/0  |  提交时间：2019/01/08 Interaction of Metal Ions with the His13-His14 Sequence Relevant to Alzheimer's Disease 期刊论文 journal of physical chemistry a, 2015, 卷号: 119, 期号: 14, 页码: 3528-3534 作者:  Kong, Xiangtao;  Zhao, Zhi;  Lei, Xin;  Zhang, Bingbing;  Dai, Dongxu 收藏  |  浏览/下载：12/0  |  提交时间：2015/11/17 H + H-2 quantum dynamics using potential energy surfaces based on the XYG3 type of doubly hybrid density functionals: Validation of the density functionals 期刊论文 journal of chemical physics, 2015, 卷号: 142, 期号: 8 作者:  Su, Neil Qiang;  Chen, Jun;  Sun, Zhigang;  Zhang, Dong H.;  Xu, Xin 收藏  |  浏览/下载：12/0  |  提交时间：2015/11/17 Role of Planar Conformations in Aggregation Induced Spectral Shifts of Supermolecular Oligofluorenols in Solutions and Films: A Combined Experimental and MD/TD-DFT Study 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY B, 2015 Yuan, Xiangai; Zhang, Wanwan; Xie, Ling-Hai; Ma, Jing; Huang, Wei; Liu, Wenjian 收藏  |  浏览/下载：5/0  |  提交时间：2017/12/03 MOLECULAR-DYNAMICS SIMULATIONS  BETA-PHASE FORMATION  CONJUGATED POLYMER POLY(9,9-DIOCTYLFLUORENE)  LIGHT-EMITTING MATERIALS  AB-INITIO CALCULATIONS  GROUND-STATE ENERGIES  POLYFLUORENE DERIVATIVES  FRAGMENTATION APPROACH  EXCITATION-ENERGIES  ELECTRONIC-STRUCTURES   Photoelectron spectroscopy and theoretical studies of gaseous uranium hexachlorides in different oxidation states: UCl6q- (q=0-2) 期刊论文 JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 142, 期号: 13, 页码: — 作者:  Su, J;  Dau, PD;  Liu, HT;  Huang, DL;  Wei, F 收藏  |  浏览/下载：33/0  |  提交时间：2015/12/09 MULTIPLY-CHARGED ANIONS  MULTIREFERENCE PERTURBATION-THEORY  2-ELECTRON VALENCE INDEXES  REPULSIVE COULOMB BARRIER  REFERENCE WAVE-FUNCTIONS  KOHN-SHAM ORBITALS  ELECTRONIC-STRUCTURE  FORCE-CONSTANTS  BASIS-SETS  INTERNUCLEAR DISTANCES   On the gold-ligand covalency in linear [AuX2](-) complexes 期刊论文 DALTON TRANSACTIONS, 2015, 卷号: 44, 期号: 12, 页码: 5535—5546 作者:  Xiong, XG;  Wang, YL;  Xu, CQ;  Qiu, YH;  Wang, LS 收藏  |  浏览/下载：18/0  |  提交时间：2015/12/09 CORRELATED MOLECULAR CALCULATIONS  COUPLED-CLUSTER CALCULATIONS  ORDER REGULAR APPROXIMATION  NATURAL RESONANCE THEORY  CONSISTENT BASIS-SETS  CONVERGENT BASIS-SETS  GAUSSIAN-BASIS SETS  THEORETICAL CHEMISTRY  ELECTRONIC-STRUCTURE  SUPERHEAVY ELEMENTS   Microsolvation of LiBO2 in water: anion photoelectron spectroscopy and ab initio calculations 期刊论文 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015, 卷号: 17, 期号: 14, 页码: 9135-9147 作者:  Zeng, Zhen;  Hou, Gao-Lei;  Song, Jian;  Feng, Gang;  Xu, Hong-Guang 收藏  |  浏览/下载：14/0  |  提交时间：2015/11/03 Microsolvation of LiBO2 in water: anion photoelectron spectroscopy and ab initio calculations 期刊论文 physical chemistry chemical physics, 2015, 卷号: 17, 期号: 14, 页码: 9135-9147 作者:  Zeng, Zhen;  Hou, Gao-Lei;  Song, Jian;  Feng, Gang;  Xu, Hong-Guang 收藏  |  浏览/下载：16/0  |  提交时间：2015/11/17