Systematic Theoretical Study of the Zero-Field Splitting in Coordination Complexes of Mn(III). Density Functional Theory versus Multireference Wave Function Approaches

Title
Systematic Theoretical Study of the Zero-Field Splitting in Coordination Complexes of Mn(III). Density Functional Theory versus Multireference Wave Function Approaches
Authors
Keywords
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Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 114, Issue 39, Pages 10750-10758
Publisher
American Chemical Society (ACS)
Online
2010-09-10
DOI
10.1021/jp107823s

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