Electron Pairing and Chemical Bonds. Physical Meaning of Effective Pairs

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Title:Electron Pairing and Chemical Bonds. Physical Meaning of Effective Pairs
Creators:
Ponec, Robert
Uhlík, Filip
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 59, 12, pp. 2567-2578

Abstract

<p>The physical meaning of the so-called effective pairs which have been introduced recently within the formalism of pair population analysis is discussed using the analysis of conditional probabilities of electron density distribution for electron 1 with the reference electron fixed in a certain point 2. It is demonstrated that from the point of view of the mutual coupling of electron motions, the effective pairs behave analogously to singlet pairs. Based on this finding, effective pairs can be interpreted as the fraction of singlet pairs that is directly involved in bonding.

Title:Electron Pairing and Chemical Bonds. Physical Meaning of Effective Pairs
Creators:
Ponec, Robert
Uhlík, Filip
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:59
Number:12
Page Range:pp. 2567-2578
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc19942567UNSPECIFIED
ID Code:675
Item Type:Article
Deposited On:06 Feb 2009 17:03
Last Modified:06 Feb 2009 16:03

Citation

Ponec, Robert; Uhlík, Filip (1994) Electron Pairing and Chemical Bonds. Physical Meaning of Effective Pairs. Collection of Czechoslovak Chemical Communications, 59 (12). pp. 2567-2578. ISSN 0010-0765

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