DFT Calculations of Proton Hyperfine Coupling Constants for [VO(H2O)5]2+: Comparison with Proton ENDOR Data
Author:
Affiliation:
1. Department of Chemistry, University of Iowa, Iowa City, Iowa 52242
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp0116003
Reference59 articles.
1. Proton ENDOR of VO(H2O)52+in Mg(NH4)2(SO4)2)26H2O
2. Prediction of electron paramagnetic resonanceg-tensors of transition metal complexes using density functional theory: First applications to some axial d1MEX4 systems
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