中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
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化学研究所 [5]
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OAI收割 [5]
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Effect of H2O on the hydrolysis of UF6 in the gas phase
期刊论文
OAI收割
JOURNAL OF MOLECULAR STRUCTURE, 2014, 卷号: 1062, 页码: 29-34
作者:
Hu, Shao-Wen
;
Lin, Hao
;
Wang, Xiang-Yun
;
Chu, Tai-Wei
|
收藏
|
浏览/下载:20/0
|
提交时间:2019/04/09
Uranium Hexafluoride
Hydrolysis
Relativistic Density Functional Theory Calculation
Water Catalysis Mechanism
Excited States of OsO4: A Comprehensive Time-Dependent Relativistic Density Functional Theory Study
期刊论文
OAI收割
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2010, 卷号: 31, 期号: 3, 页码: 532-551
作者:
Zhang, Yong
;
Xu, Wenhua
;
Sun, Qiming
;
Zou, Wenli
;
Liu, Wenjian
|
收藏
|
浏览/下载:19/0
|
提交时间:2019/04/09
Osmium Tetraoxide
Excited States
Time-dependent Relativistic Density Functional Theory
Exact Two-component Hamiltonian
Spin-orbit Coupling
Ccsd-lrt
Time-dependent relativistic density functional study of Yb and YbO
期刊论文
OAI收割
SCIENCE IN CHINA SERIES B-CHEMISTRY, 2009, 卷号: 52, 期号: 11, 页码: 1945-1953
作者:
Xu WenHua
;
Zhang Yong
;
Liu WenJian
|
收藏
|
浏览/下载:26/0
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提交时间:2019/04/09
Lanthanide Compound
Excited States
F-orbital Transitions
Time-dependent Relativistic Density Functional Theory
Exact Two-component Hamiltonian
Excited states of ReO4-: A comprehensive time-dependent relativistic density functional theory study
期刊论文
OAI收割
CHEMICAL PHYSICS, 2009, 卷号: 356, 期号: 1-3, 页码: 219-228
作者:
Xu, Wenhua
;
Ma, Jianyi
;
Peng, Daoling
;
Zou, Wenli
|
收藏
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浏览/下载:25/0
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提交时间:2019/04/09
Perrhenate Anion
Excited States
Time-dependent Relativistic Density Functional Theory
Symmetrized Elimination Of The Small Component
Ccsd-lrt
New advances in relativistic quantum chemistry
期刊论文
OAI收割
PROGRESS IN CHEMISTRY, 2007, 卷号: 19, 期号: 6, 页码: 833-851
作者:
Wenjian, Liu
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收藏
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浏览/下载:19/0
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提交时间:2019/04/09
Heavy Elements
Relativistic Effects
Minimax Variational Principle
Kinetic Balance Condition
Relativistic Density Functional Theory
Matrix Quasi-relativistic Theory(Xqr)
Bdf Program
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