Accuracy of DLPNO-CCSD(T): Effect of Basis Set and System Size.

Sandler, Isolde; Chen, Junbo; Taylor, Mackenzie; Sharma, Shaleen; Ho, Junming.

Afiliação

Sandler I; School of Chemistry, University of New South Wales, Sydney, NSW 2052, Australia.
Chen J; School of Chemistry, University of New South Wales, Sydney, NSW 2052, Australia.
Taylor M; School of Chemistry, University of New South Wales, Sydney, NSW 2052, Australia.
Sharma S; School of Chemistry, University of New South Wales, Sydney, NSW 2052, Australia.
Ho J; School of Chemistry, University of New South Wales, Sydney, NSW 2052, Australia.

J Phys Chem A ; 125(7): 1553-1563, 2021 Feb 25.

Article em En | MEDLINE | ID: mdl-33560853

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article