Title of article
A fully automated implementation of VPT2 Infrared intensities
Author/Authors
Barone، نويسنده , , Vincenzo and Bloino، نويسنده , , Julien and Guido، نويسنده , , Ciro A. and Lipparini، نويسنده , , Filippo، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2010
Pages
5
From page
157
To page
161
Abstract
In this contribution we present a fully automated implementation of the anharmonic second order perturbative correction to the infrared absorption intensities in the Gaussian suite of programs. Several examples are discussed to show the possibilities of our program, as regards both the variety of treatable systems and eligible methods.
Journal title
Chemical Physics Letters
Serial Year
2010
Journal title
Chemical Physics Letters
Record number
1929831
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