Navegar

Colección

Datos Estadísticas

Lista de

2007
921
Journal of Chemical Theory and Computation
3
"A distributed computing method for crystal structure prediction of flexible molecules: An application to N-(2-dimethyl-4,5-dinitrophenyl) acetamide" (2007) Bazterra, V.E.; Thorley, M.; Ferraro, M.B.; Facelli, J.C. Journal of Chemical Theory and Computation. 3(1):201-209
"Lone-pair orientation effect of an α-oxygen atom on 1JCC NMR spin-spin coupling constants in o-substituted phenols. Experimental and DFT study" (2007) Taurian, O.E.;Contreras, R.H.;De Kowalewski, D.G. (...)Tormena, C.F. Journal of Chemical Theory and Computation. 3(4):1284-1294
"QM-MM investigation of the reaction of peroxynitrite with carbon dioxide in water" (2007) González Lebrero, M.C.; Estrin, D.A. Journal of Chemical Theory and Computation. 3(4):1405-1411