A case study of density functional theory and domain-based local pair natural orbital coupled cluster for vibrational effects on EPR hyperfine coupling constants: vibrational perturbation theory versus ab initio molecular dynamics
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F. Neese | D. Marx | A. Auer | Georgi L Stoychev | Bikramjit Sharma | V. A. Tran | Georgi L. Stoychev | Dominik Marx | Van Anh Tran