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

厦门大学 [2]

上海电子信息职业技术... [2]

河南大学 [2]

力学研究所 [1]

兰州理工大学 [1]

物理研究所 [1]

内容类型

期刊论文 [11]

发表日期

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11条，第1-10条

帮助

已选(0)清除条数/页：排序方式：
	Theoretical Insights into the Effect of Cations, Anions, and Water on Fixation of CO(2)Catalyzed by Different Ionic Liquids 期刊论文 CHEMSUSCHEM, 2020, 页码: 11 作者: Xia, Yangfeng; Zhang, Yanqiang; Su, Qian; Dong, Kun 收藏 \| 浏览/下载：9/0 \| 提交时间：2020/10/30 CO2-epoxide cycloaddition Density functional calculations ELF (Electron Localization Function) Ionic liquids
	Chemical effect on the energy lose for slow ion channeling a narrow band gap semiconductor 期刊论文 NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 2019, 卷号: 444 作者: Li, Chang-kai; Liu, Sheng; Zhang, Feng-Shou 收藏 \| 浏览/下载：5/0 \| 提交时间：2019/12/05 Electronic stopping power TDDFT Chemical bond Electron localization function
	A first principles study of H2adsorption on LaNiO3(001) surfaces 期刊论文 Materials, 2017, 卷号: 10, 期号: 1 作者: Pan, Changchang; Chen, Yuhong; Wu, Na; Zhang, Meiling; Yuan, Lihua 收藏 \| 浏览/下载：37/0 \| 提交时间：2020/11/14 Adsorption Atoms Calculations Chemical bonds Density functional theory Dissociation Electric conductivity Electronic structure Iron compounds Molecules Nickel compounds Dissociation energies Electron localization function Electron structures First-principles study LaNiO3(001) Optimized structures Partial dissociation Surface adsorption
	Electron density properties and metallophilic interactions of coinage metal halides M2X2 (M = Cu, Ag and Au, X = F-I): Ab initio calculation 期刊论文 MATERIALS RESEARCH EXPRESS, 2016, 卷号: 3, 期号: 11 作者: Li Xinying[1] 收藏 \| 浏览/下载：2/0 \| 提交时间：2019/12/23 electron density property electron localization function atoms in molecules natural resonance theory covalence
	Theoretical Study on the Stability and Aromaticity of Metallasilapentalynes 期刊论文 http://dx.doi.org/10.1021/om500170w, 2014 Wang, Xuerui; Zhu, Congqing; Xia, Haiping; Zhu, Jun; 夏海平; 朱军收藏 \| 浏览/下载：6/0 \| 提交时间：2015/07/22 MAIN-GROUP ELEMENTS GENERALIZED GRADIENT APPROXIMATION ELECTRON LOCALIZATION FUNCTION INDEPENDENT CHEMICAL-SHIFTS RAY CRYSTAL-STRUCTURE SILICON TRIPLE BOND TRANSITION-METAL NONCOVALENT INTERACTIONS NUCLEOPHILIC 3-VINYL-1-CYCLOPROPENE STABLE RUTHENABENZENES
	Theoretical study on the stability of osmasilabenzynes 期刊论文 http://dx.doi.org/10.1039/c3dt53528b, 2014 Huang, Ying; Wang, Xuerui; An, Ke; Fan, Jinglan; Zhu, Jun; 朱军收藏 \| 浏览/下载：3/0 \| 提交时间：2015/07/22 ELECTRON LOCALIZATION FUNCTION INDEPENDENT CHEMICAL-SHIFTS RAY CRYSTAL-STRUCTURE POTENTIAL BASIS-SETS SILICON TRIPLE BOND MAIN-GROUP ELEMENTS TRANSITION-METAL SILYLENE COMPLEXES DENSITY FUNCTIONALS POLARIZATION FUNCTIONS
	Entropic concepts in electronic structure theory 期刊论文 FOUNDATIONS OF CHEMISTRY, 2014, 卷号: Vol.16 Special I, 页码: 27-62 作者: Nalewajski,RF 收藏 \| 浏览/下载：4/0 \| 提交时间：2019/12/30 Chemical bond multiplicities Classical and nonclassical information contributions Contragradience bond detectors Direct/indirect interactions Electron localization function Entropic probes of electron densities Information continuity Information theory Quantum information measures
	Structure and magnetic properties of Fe(2)NiZ (Z=Al, Ga, Si and Ge) Heusler alloys 期刊论文 PHYSICA B-CONDENSED MATTER, 2013, 卷号: 420, 页码: 86 Zhang, YJ; Wang, WH; Zhang, HG; Liu, EK; Ma, RS; Wu, GH 收藏 \| 浏览/下载：25/0 \| 提交时间：2014/01/17 Heusler alloy Magnetic properties Atomic-ordering temperature Band structure Electron Localization Function
	Phase Stability and Elastic Properties of Chromium Borides with Various Stoichiometries 期刊论文 CHEMPHYSCHEM, 2013, 卷号: 14, 期号: 6, 页码: 1245-1255 作者: Wang, Bing[1]; Wang, De Yu[2]; Cheng, Zhenxiang[3]; Wang, Xiaolin[4]; Wang, Yuan Xu[5] 收藏 \| 浏览/下载：5/0 \| 提交时间：2019/12/23 bond theory boron ELF (Electron Localization Function) elastic properties thermodynamics
	Use of non-additive information measures in exploring molecular electronic structure: stockholder bonded atoms and role of kinetic energy in the chemical bond. 期刊论文 Journal of mathematical chemistry, 2010, 卷号: Vol.47 No.2, 页码: 667-691 作者: Nalewajski,RomanF. 收藏 \| 浏览/下载：3/0 \| 提交时间：2020/01/04 Contra-gradience bond criterion Density functional theory Electron localization function Information principles for subsystems Non-additive Fisher information Stockholder atoms

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