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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.
Affiliation
  • 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 in En | MEDLINE | ID: mdl-27304925
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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies / Risk_factors_studies Language: En Journal: J Chem Theory Comput Year: 2016 Document type: Article Affiliation country: Italia Country of publication: Estados Unidos
Fulltext
Add to My VHL
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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies / Risk_factors_studies Language: En Journal: J Chem Theory Comput Year: 2016 Document type: Article Affiliation country: Italia Country of publication: Estados Unidos