Analytic gradient for the adaptive frozen orbital bond detachment in the fragment molecular orbital method

Title
Analytic gradient for the adaptive frozen orbital bond detachment in the fragment molecular orbital method
Authors
Keywords
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Journal
CHEMICAL PHYSICS LETTERS
Volume 477, Issue 1-3, Pages 169-175
Publisher
Elsevier BV
Online
2009-06-28
DOI
10.1016/j.cplett.2009.06.072

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