Computation of 3JHH coupling constants with a combination...

Computational and Theoretical Chemistry 2012 Vol. 1001; Iss. none

Computation of 3JHH coupling constants with a combination of density functional theory and semiempirical calculations. Application to complex molecules

Wagner E. Richter, Rodrigo M. Pontes, Layara A. Abiko, Gisele F. Gauze, Ernani A. Basso
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Volume:
1001
Year:
2012
Language:
english
DOI:
10.1016/j.comptc.2012.10.019
File:
PDF, 875 KB
english, 2012
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