Title of article
Electron correlation and the structure of 1- and 2-hydrotrioxy. An ab initio and density functional approach
Author/Authors
Vincent، نويسنده , , Mark A. and H. Hillier، نويسنده , , Ian W. Burton، نويسنده , , Neil A.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1995
Pages
4
From page
111
To page
114
Abstract
The predicted structures of the 1- and 2-hydrotrioxy radical are similar at the Brueckner doubles and density functional (B-LYP) levels of theory, but differe from those found using ab initio methods employing a lower level of electron correlation.
Journal title
Chemical Physics Letters
Serial Year
1995
Journal title
Chemical Physics Letters
Record number
1772639
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