Properties of a Method for Performing Adaptive, Multilevel QM Simulations of Complex Chemical Reactions in the Gas-Phase.

Guthrie, M Graham; Daigle, April D; Salazar, Michael R.

Afiliação

Guthrie MG; Department of Chemistry, Union University, 1050 Union University Drive, Jackson, Tennessee 38305 and Department of Chemistry, Dartmouth College, 6128 Burke Laboratory, Hanover, New Hampshire 03755.
Daigle AD; Department of Chemistry, Union University, 1050 Union University Drive, Jackson, Tennessee 38305 and Department of Chemistry, Dartmouth College, 6128 Burke Laboratory, Hanover, New Hampshire 03755.
Salazar MR; Department of Chemistry, Union University, 1050 Union University Drive, Jackson, Tennessee 38305 and Department of Chemistry, Dartmouth College, 6128 Burke Laboratory, Hanover, New Hampshire 03755.

J Chem Theory Comput ; 6(1): 18-25, 2010 Jan 12.

Article em En | MEDLINE | ID: mdl-26614315

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2010 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2010 Tipo de documento: Article