WS22 database, Wigner Sampling and geometry interpolation for configurationally diverse molecular datasetsï»¿.

Pinheiro, Max; Zhang, Shuang; Dral, Pavlo O; Barbatti, Mario.

Afiliação

Pinheiro M; Aix Marseille University, CNRS, ICR, Marseille, France. max.pinheiro-jr@univ-amu.fr.
Zhang S; State Key Laboratory of Physical Chemistry of Solid Surfaces, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Department of Chemistry, and College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, China.
Dral PO; State Key Laboratory of Physical Chemistry of Solid Surfaces, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Department of Chemistry, and College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, China.
Barbatti M; Aix Marseille University, CNRS, ICR, Marseille, France. mario.barbatti@univ-amu.fr.

Sci Data ; 10(1): 95, 2023 02 15.

Article em En | MEDLINE | ID: mdl-36792601

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article