Assessment of density functionals, semiempirical methods,...

Journal of Molecular Structure: THEOCHEM 2008 Vol. 861; Iss. 1-3

Assessment of density functionals, semiempirical methods, and SCC-DFTB for protonated creatinine geometries

Nicole M. Settergren, Philippe Bühlmann, Elizabeth A. Amin
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Volume:
861
Year:
2008
Language:
english
Pages:
6
DOI:
10.1016/j.theochem.2008.04.010
File:
PDF, 277 KB
english, 2008
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