A Bond-Energy/Bond-Order and Populations Relationship.

Zulueta, Barbaro; Tulyani, Sonia V; Westmoreland, Phillip R; Frisch, Michael J; Petersson, E James; Petersson, George A; Keith, John A

Zulueta, Barbaro; Tulyani, Sonia V; Westmoreland, Phillip R; Frisch, Michael J; Petersson, E James; Petersson, George A; Keith, John A.

Afiliación

Zulueta B; Department of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, Pennsylvania 15261, United States.
Tulyani SV; Formerly Chemical Engineering Department, University of Massachusetts Amherst,618 North Pleasant Street, Amherst, Massachusetts 01003, United States.
Westmoreland PR; Department of Chemical and Biomolecular Engineering, North Carolina State University, Raleigh, North Carolina 27695, United States.
Frisch MJ; Gaussian, Inc., Wallingford, Connecticut 06492, United States.
Petersson EJ; Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104, United States.
Petersson GA; Institute for Computational Molecular Science, Temple University, Philadelphia, Pennsylvania 19122, United States.
Keith JA; Formerly Hall-Atwater Laboratories of Chemistry, Wesleyan University, Middletown, Connecticut 06459, United States.

J Chem Theory Comput ; 18(8): 4774-4794, 2022 Aug 09.

Article en En | MEDLINE | ID: mdl-35849729

Asunto(s)

Termodinámica; Teoría Funcional de la Densidad; Estructura Molecular

Texto completo

Añadir a Mi BVS

Imprimir

XML

PubMed Links

Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Termodinámica Tipo de estudio: Qualitative_research Idioma: En Revista: J Chem Theory Comput Año: 2022 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos

Texto completo

Añadir a Mi BVS

Imprimir

XML

PubMed Links

Buscar en Google