Literature DB >> 11749345

State of the Art and Challenges of the ab Initio Theory of Intermolecular Interactions.

Grzegorz Chalasinski1, Malgorzata M. Szcz&ecedil;śniak.   

Abstract

Year:  2000        PMID： 11749345     DOI： 10.1021/cr990048z

Source DB:  PubMed          Journal:  Chem Rev        ISSN： 0009-2665            Impact factor:   60.622


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  16 in total

1.  Theoretical investigations of the H···π and X (X = F, Cl, Br, I)···π complexes between hypohalous acids and benzene.

Authors:  Qiang Zhao; Dacheng Feng; Youmin Sun; Jingcheng Hao; Zhengting Cai
Journal:  J Mol Model       Date:  2010-12-01       Impact factor: 1.810

2.  Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds.

Authors:  Kevin E Riley; Jane S Murray; Jindřich Fanfrlík; Jan Rezáč; Ricardo J Solá; Monica C Concha; Felix M Ramos; Peter Politzer
Journal:  J Mol Model       Date:  2012-05-29       Impact factor: 1.810

3.  Cooperative effects between halogen bonds and pnicogen bonds in XBr∙∙∙OFH2P∙∙∙NH3 (X = F, Cl, CN, NC, OH, and NO2) complexes.

Authors:  Qiang Zhao
Journal:  J Mol Model       Date:  2015-12-09       Impact factor: 1.810

4.  A new theoretical analysis of the cooperative effect in T-shaped hydrogen complexes of CnHm∙∙∙HCN∙∙∙HW with n = 2, m = 2 or 4, and W = F or CN.

Authors:  Boaz G Oliveira; Tamires F Costa; Regiane C M U Araújo
Journal:  J Mol Model       Date:  2013-05-31       Impact factor: 1.810

5.  The cooperativity between hydrogen and halogen bond in the XY···HNC···XY (X, Y = F, Cl, Br) complexes.

Authors:  Qiang Zhao; Dacheng Feng; Jingcheng Hao
Journal:  J Mol Model       Date:  2011-02-02       Impact factor: 1.810

6.  Interplay between halogen and chalcogen bonding in the XCl∙∙∙OCS∙∙∙NH₃ (X = F, OH, NC, CN, and FCC) complex.

Authors:  Qiang Zhao
Journal:  J Mol Model       Date:  2014-09-20       Impact factor: 1.810

7.  Covalent bonds are created by the drive of electron waves to lower their kinetic energy through expansion.

Authors:  Michael W Schmidt; Joseph Ivanic; Klaus Ruedenberg
Journal:  J Chem Phys       Date:  2014-05-28       Impact factor: 3.488

8.  Discovery of σ-hole interactions involving ylides.

Authors:  Jiannan Ji; Yanli Zeng; Xueying Zhang; Shijun Zheng; Lingpeng Meng
Journal:  J Mol Model       Date:  2013-09-17       Impact factor: 1.810

9.  Insight into the structural role of carotenoids in the photosystem I: a quantum chemical analysis.

Authors:  Yanli Wang; Lisong Mao; Xiche Hu
Journal:  Biophys J       Date:  2004-05       Impact factor: 4.033

10.  The X∙∙∙Au interactions in the CF₃X (X = Cl, Br)∙∙∙Au(n) (n = 2, 3, and 4) complexes.

Authors:  Qiang Zhao
Journal:  J Mol Model       Date:  2014-02-19       Impact factor: 1.810
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