Polarization, donor-acceptor interactions, and covalent contributions in weak interactions: a clarification

被引：44

作者：

Clark, Timothy ^{[1
]}

机构：

[1] Friedrich Alexander Univ Erlangen Nurnberg, Dept Chem & Pharm, Comp Chem Ctr, Nagelsbachstr 25, D-91052 Erlangen, Germany

来源：

JOURNAL OF MOLECULAR MODELING | 2017年 / 23卷 / 10期

关键词：

Bonding theory; Hydrogen bonds; Halogen bonds; Polarization; Charge transfer; CORRELATED MOLECULAR CALCULATIONS; GAUSSIAN-BASIS SETS; CHARGE-TRANSFER; ELECTRONIC-STRUCTURE; ATOMS; POLARIZABILITY; SOFTNESS; FORCES; BONDS; BORON;

D O I：

10.1007/s00894-017-3473-y

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

The concepts of polarization (induction), charge transfer and covalent bonding contributions are discussed in terms of weak interactions. They are shown to be different incarnations of the same phenomenon, so that using polarization to describe them is most consistent as it is the only real, measurable and uniquely defined quantity of the three. Dispersion is discussed as a form of polarization within the Feynman description. Model calculations are described.

引用

页数：10

共 50 条

[1] Polarization, donor–acceptor interactions, and covalent contributions in weak interactions: a clarification
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[J]. Journal of Molecular Modeling, 2017, 23
[2] Non-Covalent Interactions in Weak Donor-Acceptor Systems Based on Toluene and Tetracyanoquinodimethane Derivatives
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