Covalent bonding

The role of exchange effects

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

It is stressed that the two-center exchange energy components lead to a significant lowering of the total molecular energy because of exclusion of self-repulsion, and this is inevitable for covalent bond formation. The success of the two-center bond order index relies on the fact that it gives a qualitative estimate of this important phenomenon.

Original languageEnglish
Pages (from-to)2543-2546
Number of pages4
JournalJournal of Physical Chemistry A
Volume118
Issue number13
DOIs
Publication statusPublished - Apr 3 2014

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Covalent bonds
covalent bonds
exclusion
energy transfer
estimates
energy

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Covalent bonding : The role of exchange effects. / Mayer, I.

In: Journal of Physical Chemistry A, Vol. 118, No. 13, 03.04.2014, p. 2543-2546.

Research output: Contribution to journalArticle

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