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浏览/检索结果: 共10条，第1-10条 帮助 已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择发表日期升序发表日期降序提交时间升序提交时间降序题名升序题名降序作者升序作者降序 Cooperative effects between F … Ag bonded and X … Br (Cl) halogen-bonded interaction in BrF(ClF) … AgX … BrF(ClF) (X = F, Cl, Br) complexes: a theoretical study 期刊论文 Molecular Physics, 2018, 卷号: Vol.116 No.14, 页码: 1834-1843 作者:  Zheng, Baishu;  Liu, Yi;  Huang, Lu;  Wang, Zhaoxu;  Liu, Hexiu 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/26 Cooperative effects  electron density  halogen bonds  molecular electrostatic potential  orbital interaction  energy decomposition   Solvent- and pH-Dependent Formation of Four Zinc Porous Coordination Polymers: Framework Isomerism and Gas Separation 期刊论文 CRYSTAL GROWTH & DESIGN, 2018, 卷号: Vol.18 No.12, 页码: 7674-7682 作者:  Wang, Yang;  Cao, Haifei;  Zheng, Baishu;  Zhou, Rongfei;  Duan, Jingui 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/26 A theoretical investigation on Cu/Ag/Au bonding in XH2PMY(X = H, CH3, F, CN, NO2; M = Cu, Ag, Au; Y = F, Cl, Br, I) complexes 期刊论文 Journal of Chemical Physics, 2018, 卷号: Vol.148 No.19 作者:  Wang, Zhaoxu;  Liu, Yi;  Zheng, Baishu;  Zhou, Fengxiang;  Jiao, Yinchun 收藏  |  浏览/下载：5/0  |  提交时间：2019/12/26 Theoretical study on subsituent effects in intramolecular proton transfer processes of thiophenols 期刊论文 Chinese Journal of Atomic and Molecular Physics, 2016, 卷号: Vol.33 No.2, 页码: 245-251 作者:  Hao Yanlei;  Yi Pinggui;  Yu Xianyong;  Wang Zhaoxu;  Zheng Baishu 收藏  |  浏览/下载：2/0  |  提交时间：2019/12/31 Thiophenol  GSIPT  Hydrogen bond  Substituent electronic effects  DFT   Formation of a metal–organic framework with high gas uptakes based upon amino-decorated polyhedral cages 期刊论文 RSC Advances, 2015, 卷号: Vol.5 No.4, 页码: 2374-2377 作者:  Yun, Ruirui;  Cui, Ranran;  Qian, Fujun;  Cao, Xiaoyan;  Luo, Shizhong 收藏  |  浏览/下载：4/0  |  提交时间：2019/12/31 Theoretical characters and nature of the intermolecular lithium bonded interactions B center dot center dot center dot LiCN/LiNC (B = pyridine, furan and thiophene) 期刊论文 COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2013, 卷号: 1017, 页码: 153-158 作者:  Zheng, Baishu;  Hou, Bo;  Wang, Zhaoxu;  Yi, Pinggui;  Wu, Junyong 收藏  |  浏览/下载：21/0  |  提交时间：2019/04/09 Lithium Bond  Intermolecular Interaction  Mp2  Nbo  Aim  Sapt   A highly porous 4,4-paddlewheel-connected NbO-type metal-organic framework with a large gas-uptake capacity. 期刊论文 Dalton transactions, 2013, 卷号: Vol.42 No.31, 页码: 11304-11311 作者:  Wang, Zhaoxu;  Zheng, Baishu;  Liu, Heting;  Yi, Pinggui;  Li, Xiaofang 收藏  |  浏览/下载：4/0  |  提交时间：2020/01/05 High-Capacity Gas Storage by a Microporous Oxalamide-Functionalized NbO-Type Metal–Organic Framework 期刊论文 Crystal Growth and Design, 2013, 卷号: Vol.13 No.11, 页码: 5001-5006 作者:  Wang, Zhaoxu;  Zheng, Baishu;  Liu, Heting;  Lin, Xiu;  Yu, Xianyong 收藏  |  浏览/下载：6/0  |  提交时间：2020/01/05 Structure, properties, and nature of the pyridine-XY (X, Y=F, Cl, Br) complexes: An ab initio study. 期刊论文 Journal of Chemical Physics, 2010, 卷号: Vol.132 No.16 作者:  Wang, Zhaoxu;  Zheng, Baishu;  Yu, Xianyong;  Li, Xiaofang;  Yi, Pinggui 收藏  |  浏览/下载：1/0  |  提交时间：2020/01/13 Charge transfer  Halogen elements  Ion exchange  Perturbation techniques  Pyridine  Thiophene   NMR and theoretical study on interactions between diperoxovanadate complex and pyrazole-like ligands 期刊论文 Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2010, 卷号: Vol.75 No.3, 页码: 1095-1099 作者:  Yu, Xianyong;  Liu, Ronghua;  Peng, Hongliang;  Huang, Haowen;  Li, Xiaofang 收藏  |  浏览/下载：1/0  |  提交时间：2020/01/13