Title of article
A resonance theory consistent with Mulliken-population concept
Author/Authors
Ikeda، نويسنده , , Atsushi and Nakao، نويسنده , , Yoshihide and Sato، نويسنده , , Hirofumi and Sakaki، نويسنده , , Shigeyoshi، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2011
Pages
6
From page
148
To page
153
Abstract
An analysis of the molecular orbital wave function from the viewpoint of resonance theory is proposed. This is an extension of our previous method to treat the conjugated-electron system. It enables us to calculate the weights of resonance structures being consistent with the Mulliken population as well as bond order analysis. The method has been applied to LiH, H2O, butadiene, and the SN2 reaction.
Journal title
Chemical Physics Letters
Serial Year
2011
Journal title
Chemical Physics Letters
Record number
1931062
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