Comparison of the DFT-SAPT and Canonical EDA Schemes for the Energy Decomposition of Various Types of Noncovalent Interactions.

Stasyuk, Olga A; Sedlak, Robert; Guerra, Célia Fonseca; Hobza, Pavel

Stasyuk, Olga A; Sedlak, Robert; Guerra, Célia Fonseca; Hobza, Pavel.

Afiliación

Stasyuk OA; Institute of Organic Chemistry and Biochemistry , Academy of Sciences of the Czech Republic , 166 10 Prague 6, Czech Republic.
Sedlak R; Institute of Organic Chemistry and Biochemistry , Academy of Sciences of the Czech Republic , 166 10 Prague 6, Czech Republic.
Guerra CF; Regional Centre of Advanced Technologies and Materials, Department of Physical Chemistry , Palacký University , 771 46 Olomouc , Czech Republic.
Hobza P; Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling , VU Amsterdam , De Boelelaan 1083 , 1081 HV Amsterdam , The Netherlands.

J Chem Theory Comput ; 14(7): 3440-3450, 2018 Jul 10.

Article en En | MEDLINE | ID: mdl-29926727

Texto completo

Añadir a Mi BVS

Imprimir

XML

PubMed Links

Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2018 Tipo del documento: Article País de afiliación: República Checa Pais de publicación: Estados Unidos

Texto completo

Añadir a Mi BVS

Imprimir

XML

PubMed Links

Buscar en Google