Toward Reliable Prediction of Hyperfine Coupling Constants...

Journal of Chemical Theory and Computation 2014 / 05 Vol. 10; Iss. 5

Toward Reliable Prediction of Hyperfine Coupling Constants Using Ab Initio Density Matrix Renormalization Group Method: Diatomic 2 Σ and Vinyl Radicals as Test Cases

Lan, Tran Nguyen, Kurashige, Yuki, Yanai, Takeshi
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Volume:
10
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct400978j
Date:
May, 2014
File:
PDF, 671 KB
english, 2014
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