NBO 7.0: New vistas in localized and delocalized chemical bonding theory.

Glendening, Eric D; Landis, Clark R; Weinhold, Frank

Glendening, Eric D; Landis, Clark R; Weinhold, Frank.

Afiliación

Glendening ED; Department of Chemistry and Physics, Indiana State University, Terre Haute, Indiana, 47809.
Landis CR; Department of Chemistry, University of Wisconsin-Madison, Madison, Wisconsin, 53706.
Weinhold F; Department of Chemistry, University of Wisconsin-Madison, Madison, Wisconsin, 53706.

J Comput Chem ; 40(25): 2234-2241, 2019 09 30.

Article en En | MEDLINE | ID: mdl-31172571

Palabras clave

chemical bonding theory; natural bond orbital; natural resonance theory; polyelectron population; density matrix; wavefunction analysis

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Texto completo: 1 Base de datos: MEDLINE Idioma: En Revista: J Comput Chem Asunto de la revista: QUIMICA Año: 2019 Tipo del documento: Article

Texto completo

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PubMed Links

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Texto completo: 1 Base de datos: MEDLINE Idioma: En Revista: J Comput Chem Asunto de la revista: QUIMICA Año: 2019 Tipo del documento: Article