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浏览/检索结果: 共4条，第1-4条 帮助 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 Theoretical study on potential energy curves and spectroscopy properties of ground and low-lying excited electronic states of BrCl(+) 期刊论文 SCIENCE IN CHINA SERIES B-CHEMISTRY, 2008, 卷号: 51, 期号: 6, 页码: 521-528 作者:  Wang MingWei;  Wang BingWu;  Chen ZhiDa 收藏  |  浏览/下载：15/0  |  提交时间：2019/04/09 Brcl(+)  Ab Initio Mrci(Sd) Plus q Method  Spin-orbit Coupling  Low-lying Excited State  Potential Energy Curves   Theoretical study on potential energy curves and spectroscopy properties of ground and low-lying excited electronic states of BrCl(+) 期刊论文 中国科学b辑 化学英文版, 2008 Wang MingWei; Wang BingWu; Chen ZhiDa 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/10 BrCl(+)  ab initio MRCI(SD) plus Q method  spin-orbit coupling  low-lying excited state  potential energy curves  BROMINE MONOCHLORIDE  OZONE DESTRUCTION  POLAR SUNRISE  PHOTODISSOCIATION  CATION   Unusual ferromagnetic coupling interaction in carboxylato-bridged Mn(II) complexes: Ab initio MRCI(SD) and DFT theoretical studies 期刊论文 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2007, 卷号: 816, 期号: 1-3, 页码: 103-108 作者:  Wang, Mingwel;  Wang, Bingwu;  Chen, Zhida 收藏  |  浏览/下载：16/0  |  提交时间：2019/04/09 Magnetic Coupling  Mn(Ii)-containing Dimer  Ab Initio Mrci(Sd) Plus q  Dft Broken-symmetry  Low-lying Excited State   Unusual ferromagnetic coupling interaction in carboxylato-bridged Mn(II) complexes: Ab initio MRCI(SD) and DFT theoretical studies 期刊论文 journal of molecular structure theochem, 2007 Wang, Mingwel; Wang, Bingwu; Chen, Zhida 收藏  |  浏览/下载：1/0  |  提交时间：2015/11/12 Magnetic coupling  Mn(II)-containing dimer  Ab initio MRCI(SD) plus Q  DFT broken-symmetry  low-lying excited state  DENSITY-FUNCTIONAL THEORY  BROKEN SYMMETRY APPROACH  MAGNETIC-PROPERTIES  BINUCLEAR COMPLEXES  MANGANESE CARBOXYLATE  METAL DIMER  EXCHANGE  MOLECULE  FAMILY  INSULATORS