High Magnetic Exchange Coupling Constants: A Density Functional Theory Based Study of Substituted Schlenk Diradicals
Author:
Affiliation:
1. Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai-400076, India
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp3033879
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5. The effects of heteroatom substitution on the singlet–triplet energy differences in diradicals—ab initio calculations of ΔEST in meta-benzoquinomethane and in 1,3-naphthoquinomethane
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