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浏览/检索结果: 共8条，第1-8条 帮助 限定条件 发表日期：2009     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 Four-component relativistic theory for nuclear magnetic shielding: Magnetically balanced gauge-including atomic orbitals 期刊论文 JOURNAL OF CHEMICAL PHYSICS, 2009, 卷号: 131, 期号: 24 作者:  Cheng, Lan;  Xiao, Yunlong;  Liu, Wenjian 收藏  |  浏览/下载：15/0  |  提交时间：2019/04/09 Dirac Equation  Electron Correlations  Magnetic Shielding  Molecular Electronic States  Nuclear Magnetic Resonance  Orbital Calculations  Paramagnetism  Relativistic Corrections   Exact two-component relativistic theory for nuclear magnetic resonance parameters 期刊论文 JOURNAL OF CHEMICAL PHYSICS, 2009, 卷号: 131, 期号: 8 作者:  Sun, Qiming;  Liu, Wenjian;  Xiao, Yunlong;  Cheng, Lan 收藏  |  浏览/下载：13/0  |  提交时间：2019/04/09 Nuclear Magnetic Resonance  Nuclear Screening  Relativistic Corrections  Transfer Function Matrices   Leading-order relativistic corrections to the hydrogen molecular ion 期刊论文 PHYSICAL REVIEW A, 2009, 卷号: 79, 期号: 6 作者:   收藏  |  浏览/下载：20/0  |  提交时间：2015/06/26 hydrogen ions  hyperfine structure  positive ions  relativistic corrections  rotational-vibrational states  variational techniques   Spectrum of scandium in the energy region 52 625-54 046 cm(-1) 期刊论文 Physical review a, 2009, 卷号: 79, 期号: 3, 页码: 9 作者:  Jia, Feng-Dong;  Zhong, Zhi-Ping;  Sun, Wei;  Xue, Ping;  Xu, Xiang-Yuan 收藏  |  浏览/下载：19/0  |  提交时间：2019/05/10 Ab initio calculations  Atom-photon collisions  Autoionisation  Photoexcitation  Quantum theory  Relativistic corrections  Rydberg states  Scandium   Exact two-component relativistic theory for nuclear magnetic resonance parameters 期刊论文 journal of chemical physics, 2009 Sun, Qiming; Liu, Wenjian; Xiao, Yunlong; Cheng, Lan 收藏  |  浏览/下载：4/0  |  提交时间：2015/11/12 nuclear magnetic resonance  nuclear screening  relativistic corrections  transfer function matrices  DENSITY-FUNCTIONAL CALCULATIONS  NORMALIZED ELIMINATION  SMALL COMPONENT  APPROXIMATION  SHIELDINGS   Four-component relativistic theory for nuclear magnetic shielding: Magnetically balanced gauge-including atomic orbitals 期刊论文 journal of chemical physics, 2009 Cheng, Lan; Xiao, Yunlong; Liu, Wenjian 收藏  |  浏览/下载：8/0  |  提交时间：2015/11/12 Dirac equation  electron correlations  magnetic shielding  molecular electronic states  nuclear magnetic resonance  orbital calculations  paramagnetism  relativistic corrections  NMR CHEMICAL-SHIFTS  DIRAC-FOCK CALCULATIONS  SPIN COUPLING TENSORS  HYDROGEN HALIDES  CONFIGURATION-INTERACTION  LOCALIZED QUANTITIES  PROGRAM PACKAGE  EXCHANGE-ENERGY  WAVE-FUNCTIONS  SUSCEPTIBILITIES   Four-component relativistic theory for NMR parameters: Unified formulation and numerical assessment of different approaches 期刊论文 journal of chemical physics, 2009 Cheng, Lan; Xiao, Yunlong; Liu, Wenjian 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/11 chemical shift  ground states  magnetic shielding  nuclear magnetic resonance  positive ions  radon  relativistic corrections  spin-spin coupling  MAGNETIC SHIELDING CONSTANTS  DIRAC-FOCK CALCULATIONS  PROGRAM PACKAGE  APPROXIMATION  MOLECULES  EXPANSION  BALANCE  TENSORS  ENERGY  GASES   Leading-order relativistic corrections to the hydrogen molecular ion 期刊论文 PHYSICAL REVIEW A, 2009, 卷号: 79, 期号: 6 作者:  Zhong, Zhen-Xiang;  Yan, Zong-Chao;  Shi, Ting-Yun 收藏  |  浏览/下载：4/0  |  提交时间：2019/12/05 hydrogen ions  hyperfine structure  positive ions  relativistic corrections  rotational-vibrational states  variational techniques