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北京大学 [7]

计算机网络信息中心 [2]

厦门大学 [1]

化学研究所 [1]

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期刊论文 [10]

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浏览/检索结果: 共11条，第1-10条

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	The Stannylphosphide Anion Reagent Sodium Bis(triphenylstannyl) Phosphide: Synthesis, Structural Characterization, and Reactions with Indium, Tin, and Gold Electrophiles 期刊论文 http://dx.doi.org/10.1021/ic403178j, 2014 Cummins, Christopher C.; Huang, Chao; Miller, Tabitha J.; Reintinger, Markus W.; Stauber, Julia M.; Tannou, Isabelle; Tofan, Daniel; Toubaei, Abouzar; Velian, Alexandra; Wu, Gang; 黄超收藏 \| 浏览/下载：5/0 \| 提交时间：2015/07/22 REGULAR 2-COMPONENT HAMILTONIANS NUCLEAR-MAGNETIC-RESONANCE SOLID-STATE IN-115 PHOSPHORUS-COMPOUNDS ELECTRONIC-STRUCTURES ELEMENTAL PHOSPHORUS MOLECULAR PRECURSORS CORRELATION-ENERGY QUANTUM DOTS 1ST SALTS
	On the spin separation of algebraic two-component relativistic Hamiltonians 期刊论文 JOURNAL OF CHEMICAL PHYSICS, 2012, 卷号: 137, 期号: 15 作者: Li, Zhendong; Xiao, Yunlong; Liu, Wenjian 收藏 \| 浏览/下载：14/0 \| 提交时间：2019/04/09 Dirac Equation Matrix Algebra Quantum Chemistry Relativistic Corrections Renormalisation
	Relativistic explicit correlation: Coalescence conditions and practical suggestions 其他 2012-01-01 Li, Zhendong; Shao, Sihong; Liu, Wenjian 收藏 \| 浏览/下载：4/0 \| 提交时间：2015/11/10 COMPLEX-COORDINATE ROTATION BOUND-STATE ENERGIES WAVE-FUNCTIONS ISOELECTRONIC SERIES ELECTRONIC-STRUCTURE SPIN-1/2 PARTICLES QUANTUM-CHEMISTRY HYLLERAAS-CI TERMS HAMILTONIANS
	On the spin separation of algebraic two-component relativistic Hamiltonians 期刊论文 journal of chemical physics, 2012 Li, Zhendong; Xiao, Yunlong; Liu, Wenjian 收藏 \| 浏览/下载：3/0 \| 提交时间：2015/11/12 Dirac equation matrix algebra quantum chemistry relativistic corrections renormalisation DOUGLAS-KROLL TRANSFORMATION ORDER REGULAR APPROXIMATION ZETA BASIS-SETS QUANTUM-CHEMISTRY PROGRAM PACKAGE TRIPLE-ZETA 6P ELEMENTS ELIMINATION EXPANSION EQUATION
	Relativistic density functional theory study on the la-139 chemical shifts and electronic spectra of la-2 @c-72 期刊论文 Journal of computational and theoretical nanoscience, 2009, 卷号: 6, 期号: 2, 页码: 434-438 作者: Jin, Peng; Mi, Weihong; Hao, Ce; Li, Shenmin; Gao, Zhanxian 收藏 \| 浏览/下载：27/0 \| 提交时间：2019/05/09 Metallofullerene La-2 @c-72 Relativistic effect Nmr Uv-vis-nir spectrum
	Which configuration is more stable for la-2@c-80, d-3d or d-2h? recomputation with zora methods within adf 期刊论文 Journal of physical chemistry c, 2007, 卷号: 111, 期号: 22, 页码: 7862-7867 作者: Zhang, Junfeng; Hao, Ce; Li, Shenmin; Mi, Weihong; Jin, Peng 收藏 \| 浏览/下载：14/0 \| 提交时间：2019/05/09
	Quasirelativistic theory I. Theory in terms of a quasi-relativistic operator 期刊论文分子物理学, 2006 Kutzelnigg, W; Liu, WJ 收藏 \| 浏览/下载：4/0 \| 提交时间：2015/11/12 DIRECT PERTURBATION-THEORY DIRAC-EQUATION REGULAR APPROXIMATIONS EFFECTIVE-HAMILTONIANS HIGH-ORDER TRANSFORMATION DEGENERATE FORMALISM ALPHA(2) ACCURATE
	The Beijing Density Functional (BDF) program package: Methodologies and applications 期刊论文 journal of theoretical computational chemistry, 2003 Liu, WJ; Wang, F; Li, LM 收藏 \| 浏览/下载：3/0 \| 提交时间：2015/11/13 relativistic effects DFT spin polarization DKS SEAX ZORA BDF DIRECT PERTURBATION-THEORY RELATIVISTIC ELECTRON-GAS ORDER REGULAR APPROXIMATION HEAVY DIATOMIC-MOLECULES HARTREE-FOCK AB-INITIO SPECTROSCOPIC CONSTANTS POLYATOMIC-MOLECULES ITERATIVE SUBSPACE DIRECT INVERSION
	Spectroscopic constants of MH and M-2 (M=Tl, E113, Bi, E115): Direct comparisons of four- and two-component approaches in the framework of relativistic density functional theory 期刊论文 journal of chemical physics, 2002 Liu, WJ; van Wullen, C; Wang, F; Li, LM 收藏 \| 浏览/下载：3/0 \| 提交时间：2015/11/10 LOW-LYING STATES ORBIT CONFIGURATION-INTERACTION ORDER REGULAR APPROXIMATION HEAVY DIATOMIC-MOLECULES CORRELATION ENERGIES ELECTRONIC STATES AB-INITIO PROJECTION OPERATORS COULOMB CALCULATIONS DISSOCIATION CURVES
	A singularity excluded approximate expansion scheme in relativistic density functional theory 期刊论文 theoretical chemistry accounts, 2002 Wang, F; Li, LM 收藏 \| 浏览/下载：7/0 \| 提交时间：2015/11/11 quantum chemical calculations relativistic effects dirac operator approximate expansion density functional theory Kohn-Sham equation ORDER REGULAR APPROXIMATION ELECTRONIC-STRUCTURE CALCULATIONS GAUSSIAN-BASIS SET 2-COMPONENT HAMILTONIANS NONRELATIVISTIC METHODS EXPECTATION VALUES EXCHANGE-ENERGY ALL-ELECTRON MOLECULES ATOMS

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