Perspective on Diabatic Models of Chemical Reactivity as Illustrated by the Gas-Phase S(N)2 Reaction of Acetate Ion with 1,2-Dichloroethane

Por Valero, Rosendo, Song, Lingchun, Gao, Jiali, Truhlar, Donald G.
Publicado em 2009

Consistent van der Waals Radii for the Whole Main Group

Por Mantina, Manjeera, Chamberlin, Adam C., Valero, Rosendo, Cramer, Christopher J., Truhlar, Donald G.
Publicado em 2009

Intriguing Electrostatic Potential of CO: Negative Bond-ends and Positive Bond-cylindrical-surface

Por Kim, Hahn, Doan, Van Dung, Cho, Woo Jong, Valero, Rosendo, Aliakbar Tehrani, Zahra, Madridejos, Jenica Marie L., Kim, Kwang S.
Publicado no Sci Rep (2015)