中国开放科研知识云: 检索

验证码:

换一张

忘记密码？记住我

取消登录

CORC

首页
科研机构
检索
知识图谱
申请加入
托管服务

在结果中检索

科研机构

北京大学 [9]

化学研究所 [2]

清华大学 [1]

上海应用物理研究所 [1]

高能物理研究所 [1]

内容类型

期刊论文 [14]

发表日期

学科主题

Chemistry;... [1]

知识图谱

CORC

已提交作品

待认领作品

已认领作品

未提交全文

浏览/检索结果: 共14条，第1-10条

帮助

已选(0)清除条数/页：排序方式：
	Big picture of relativistic molecular quantum mechanics 期刊论文 NATIONAL SCIENCE REVIEW, 2016 Liu, Wenjian 收藏 \| 浏览/下载：4/0 \| 提交时间：2017/12/04 relativistic quantum mechanics quantum electrodynamics relativistic Hamiltonian electron correlation magnetic property DENSITY-FUNCTIONAL THEORY COMPLEX-COORDINATE ROTATION ORDER REGULAR APPROXIMATION EXCITATION-ENERGIES NMR PARAMETERS HYLLERAAS-CI ELECTRON SYSTEMS HAMILTONIANS CHEMISTRY
	Probing the Electronic Structure and Chemical Bonding of Mono-Uranium Oxides with Different Oxidation States: UOx- and UOx (x=3-5) 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY A, 2016, 卷号: 120, 期号: 7, 页码: 1084—1096 作者: Su, J; Li, WL; Lopez, GV; Jian, T; Cao, GJ 收藏 \| 浏览/下载：58/0 \| 提交时间：2016/09/12 RELATIVISTIC QUANTUM-CHEMISTRY KOHN-SHAM ORBITALS INFRARED-SPECTRA BASIS-SETS GAS-PHASE VALENCE INDEXES WAVE-FUNCTIONS PHOTOELECTRON-SPECTROSCOPY EXCITATION-ENERGIES SPIN-ORBIT
	Perspective: Relativistic Hamiltonians 期刊论文国际量子化学杂志, 2014 Liu, Wenjian 收藏 \| 浏览/下载：5/0 \| 提交时间：2015/11/10 molecular QED relativistic Hamiltonian no-pair approximation four-component exact two-component QUANTUM-CHEMISTRY EQUATION FORMALISM
	Extraction complexes of Pu(IV) with carbamoylmethylphosphine oxide ligands: A relativistic density functional study 期刊论文 RADIOCHIMICA ACTA, 2014, 卷号: 102, 期号: 1-2, 页码: 77-86 作者: Wang CZ(王聪芝); Lan JH(蓝建慧); Feng YX(冯一潇); Wang, CZ; Lan, JH 收藏 \| 浏览/下载：25/0 \| 提交时间：2016/04/08 Plutonium(IV) Solvent extraction CMPO Ph-2 CMPO Relativistic quantum chemistry
	Combining spin-adapted open-shell TD-DFT with spin-orbit coupling 期刊论文分子物理学, 2013 Li, Zhendong; Suo, Bingbing; Zhang, Yong; Xiao, Yunlong; Liu, Wenjian 收藏 \| 浏览/下载：6/0 \| 提交时间：2015/11/11 spin-adapted TD-DFT spin-free X2C spin-orbit coupling fine structure open-shell systems DENSITY-FUNCTIONAL THEORY RELATIVISTIC QUANTUM-CHEMISTRY ORDER REGULAR APPROXIMATION ANO BASIS-SETS EXCITATION-ENERGIES PROGRAM PACKAGE EXCITED-STATES WAVE-FUNCTIONS CLUSTER METHOD EXCHANGE
	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
	Exact two-component relativistic theory for NMR parameters: General formulation and pilot application 期刊论文 journal of chemical physics, 2012 Sun, Qiming; Xiao, Yunlong; Liu, Wenjian 收藏 \| 浏览/下载：4/0 \| 提交时间：2015/11/12 diamagnetism magnetisation nuclear magnetic resonance paramagnetism perturbation theory relativistic corrections NUCLEAR MAGNETIC SHIELDINGS DENSITY-FUNCTIONAL CALCULATIONS NO-PAIR EQUATION REGULAR APPROXIMATION QUANTUM-CHEMISTRY PROJECTION OPERATORS PROGRAM PACKAGE BASIS-SETS ORDER ENERGY
	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
	Fully relativistic theories and methods for NMR parameters 期刊论文 theoretical chemistry accounts, 2012 Xiao, Yunlong; Sun, Qiming; Liu, Wenjian 收藏 \| 浏览/下载：4/0 \| 提交时间：2015/11/10 NMR parameters Four-component relativistic theories Orbital decomposition Magnetic balance Gauge-including atomic orbitals MAGNETIC SHIELDING CONSTANTS ANALYTIC ENERGY DERIVATIVES DIRAC-FOCK CALCULATIONS SPIN COUPLING TENSORS CHEMICAL-SHIFTS PERTURBATION-THEORY QUANTUM-CHEMISTRY HYDROGEN HALIDES HARTREE-FOCK ATOMS
	Formation of unprecedented actinide carbon triple bonds in uranium methylidyne molecules 期刊论文 2010, 2010 Lyon, Jonathan T.; Hu, Han-Shi; Andrews, Lester; Li, Jun 收藏 \| 浏览/下载：4/0

相关链接
欧盟学术资源开放存取平台
CALIS高校机构知识库
台湾学术机构典藏
香港机构知识库整合系统
中国科学院机构知识库网格系统

CORC
关于我们
服务条款
隐私条款

联系我们
0931-8270076
cspace@llas.ac.cn
China-OR

中文简体

©版权所有 ©2017 CSpace - Powered by CSpace