Geometry Optimization of Radicaloid Systems Using Improved Virtual Orbital-Complete Active Space Configuration Interaction (IVO-CASCI) Analytical Gradient Method

Title
Geometry Optimization of Radicaloid Systems Using Improved Virtual Orbital-Complete Active Space Configuration Interaction (IVO-CASCI) Analytical Gradient Method
Authors
Keywords
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Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 115, Issue 16, Pages 3665-3678
Publisher
American Chemical Society (ACS)
Online
2010-06-30
DOI
10.1021/jp103536w

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