Assessment of Different Quantum Mechanical Methods for the Prediction of Structure and Cohesive Energy of Molecular Crystals.

Cutini, Michele; Civalleri, Bartolomeo; Corno, Marta; Orlando, Roberto; Brandenburg, Jan Gerit; Maschio, Lorenzo; Ugliengo, Piero.

Afiliação

Cutini M; Department of Chemistry and NIS (Nanostructured Interfaces and Surfaces) Center, University of Turin , Via P. Giuria 7, 10125 Turin, Italy.
Civalleri B; Department of Chemistry and NIS (Nanostructured Interfaces and Surfaces) Center, University of Turin , Via P. Giuria 7, 10125 Turin, Italy.
Corno M; Department of Chemistry and NIS (Nanostructured Interfaces and Surfaces) Center, University of Turin , Via P. Giuria 7, 10125 Turin, Italy.
Orlando R; Department of Chemistry and NIS (Nanostructured Interfaces and Surfaces) Center, University of Turin , Via P. Giuria 7, 10125 Turin, Italy.
Brandenburg JG; Mulliken Center of Theoretical Chemistry, Institut für Physikalische und Theoretische Chemie der Universität Bonn , Beringstraße 4, 53115 Bonn, Germany.
Maschio L; Department of Chemistry and NIS (Nanostructured Interfaces and Surfaces) Center, University of Turin , Via P. Giuria 7, 10125 Turin, Italy.
Ugliengo P; Department of Chemistry and NIS (Nanostructured Interfaces and Surfaces) Center, University of Turin , Via P. Giuria 7, 10125 Turin, Italy.

J Chem Theory Comput ; 12(7): 3340-52, 2016 Jul 12.

Article em En | MEDLINE | ID: mdl-27304925

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2016 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2016 Tipo de documento: Article