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The PM6-FGC Method: Improved Corrections for Amines and Amides |
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| Authors: | Martiñ o Rí os-Garcí a,Berta Ferná ndez,Jesú s Rodrí guez-Otero,Enrique M. Cabaleiro-Lago,Saulo A. Vá zquez |
| Affiliation: | Departamento de Química Física, Universidade de Santiago de Compostela, 15782 Santiago de Compostela, Spain; (M.R.-G.); (B.F.); (J.R.-O.); (E.M.C.-L.) |
| Abstract: | |
| Keywords: | semiempirical methods PM6 Hamiltonian PM6-FGC approach noncovalent interactions potential energy curves |