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Density Functional Theory Calculations of the Lowest Energy Quintet and Triplet States of Model Hemes: Role of Functional, Basis Set, and Zero-Point Energy Corrections

✍ Scribed by Khvostichenko, Daria; Choi, Andrew; Boulatov, Roman

Book ID: 125961525
Publisher: American Chemical Society
Year: 2008
Tongue: English
Weight: 210 KB
Volume: 112
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp076979t

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