对称性匹配微扰理论的发展与应用

21773104
2017
B0301.化学理论与方法
王伟周
面上项目
教授
洛阳师范学院
65万元
能量组分分析;对称性匹配微扰理论;低级对称性匹配微扰理论;分子间相互作用
2018-01-01到2021-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
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序号 标题 类型 作者
1 Sub-5 nm Monolayer Arsenene and Antimonene Transistors 期刊论文 Xiaotian Sun;Zhigang Song;Shiqi Liu;Yangyang Wang;Youyong Li;Weizhou Wang;Jing Lu
2 超分子体系中非共价键本质的理论研究 会议论文 张愚;王伟周
3 Tetrel bonding on graphene 期刊论文 Yu Zhang;Weizhou Wang;Yi-Bo Wang
4 Beyond the sigma-hole and pi-hole: The origin of the very large electrophilic regions of fullerenes and carbon nanotubes 期刊论文 Yu Zhang;Donglai Wang;Weizhou Wang
5 Halogen bonding in room-temperature phosphorescent materials 期刊论文 Weizhou Wang;Yu Zhang;Wei Jun Jin
6 Supramolecular Interactions of Fullerene C-60 with 1,3,5-Trifluoro-2,4,6-triiodobenzene: A Combined Theoretical and Experimental Study 期刊论文 Yu Zhang;Jian-Ge Wang;Xiaotian Sun;Qiaohong Liu;Weizhou Wang;Yi-Bo Wang
7 A Robust Supramolecular Heterosynthon Assembled by a Hydrogen Bond and a Chalcogen Bond 期刊论文 Shaobin Miao;Yunfan Zhang;Linjie Shan;Mingyuan Xu;Jian-Ge Wang;Yu Zhang;Weizhou Wang
8 The σ-hole···σ-hole stacking interaction: An unrecognized type of noncovalent interaction 期刊论文 Yu Zhang;Weizhou Wang
9 Noncovalent Interactions between 1,3,5-Trifluoro-2,4,6-triiodobenzene and a Series of 1,10-Phenanthroline Derivatives: A Combined Theoretical and Experimental Study 期刊论文 Yu Zhang;Jian-Ge Wang;Weizhou Wang
10 Effects of functional groups for CO2 capture using metal organic frameworks 期刊论文 Chenkai Gu;Yang Liu;Weizhou Wang;Jing Liu;Jianbo Hu
11 Addition reaction between piperidine and C60 to form 1,4-disubstituted C60 proceeds through van der Waals and dative bond complexes 期刊论文 Rabindranath Lo;Debashree Manna;Maximilián Lamanec;Weizhou Wang;Aristides Bakandritsos;Martin Dračínský;Radek Zbořil;Dana Nachtigallová;Pavel Hobza
12 Computational screening of heterocycle decorations in metal-organic frameworks for efficient C2/C1 adsorption and separation 期刊论文 Chenkai Gu;Weizhou Wang;Jianbo Hu;Jing Liu
13 Determination and Correlation of Solubilities of 1,3,5-Trifluoro-2,4,6-triiodobenzene in Different Solvents from 289.25 to 332.15 K 期刊论文 Yu Zhang;Jin-Qiang Liu;Weizhou Wang
14 The Face-to-Face σ-Hole⋯σ-Hole Stacking Interactions: Structures, Energies, and Nature 期刊论文 Yu Zhang;Weizhou Wang
15 Metal-Organic Frameworks Grafted by Univariate and Multivariate Heterocycles for Enhancing CO2 Capture: A Molecular Simulation Study 期刊论文 Chenkai Gu;Jing Liu;Jianbo Hu;Weizhou Wang
16 Pseudo-Bifurcated Chalcogen Bond in Crystal Engineering 期刊论文 Yu Zhang;Weizhou Wang
17 Performance Limit of Monolayer WSe2 Transistors; Significantly Outperform Their MoS2 Counterpart 期刊论文 Xiaotian Sun;Lin Xu;Yu Zhang;Weizhou Wang;Shiqi Liu;Chen Yang;Zhiyong Zhang;Jing Lu
18 The Existence of a N→C Dative Bond in the C60–Piperidine Complex 期刊论文 Maximilián Lamanec;Rabindranath Lo;Dana Nachtigallová;Aristides Bakandritsos;Elmira Mohammadi;Martin Dračínský;Radek Zbořil;Pavel Hobza;Weizhou Wang
19 Unexpected Sandwiched-Layer Structure of the Cocrystal Formed by Hexamethylbenzene with 1,3-Diiodotetrafluorobenzene: A Combined Theoretical and Crystallographic Study 期刊论文 Yu Zhang;Jian-Ge Wang;Weizhou Wang
20 Theoretical rationale for the role of the strong halogen bond in the design and synthesis of organic semiconductor materials 期刊论文 Yu Zhang;Weizhou Wang
21 Intermolecular and very strong intramolecular C-Se center dot center dot center dot O/N chalcogen bonds in nitrophenyl selenocyanate crystals 期刊论文 Hui Wang;Ju Liu;Weizhou Wang
22 Ab Initio Study of Gas Adsorption in Metal-Organic Frameworks Modified by Lithium: The Significant Role of Li-Containing Functional Groups 期刊论文 Chenkai Gu;Yang Liu;Jing Liu;Jianbo Hu;Weizhou Wang
23 The nature of the noncovalent interactions between fullerene C-60 and aromatic hydrocarbons 期刊论文 Yu Zhang;Weizhou Wang;Yi-Bo Wang
24 Structure-directed formation of the dative/covalent bonds in complexes with C70···piperidine 期刊论文 Rabindranath Lo;Maximilián Lamanec;Weizhou Wang;Debashree Manna;Aristides Bakandritsos;Martin Dračínský;Radek Zbořil;Dana Nachtigallová;Pavel Hobza
25 Toward a less costly but accurate calculation of the CCSD(T)/CBS noncovalent interaction energy 期刊论文 Jiu-Li Chen;Tao Sun;Yi-Bo Wang;Weizhou Wang
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