Journal
CHEMICAL PHYSICS LETTERS
Volume 496, Issue 1-3, Pages 157-161Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2010.07.012
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Funding
- GAUSSIAN, Inc.
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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. (C) 2010 Elsevier B.V. All rights reserved.
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