Accuracy of Dispersion Interactions in Semiempirical and Molecular Mechanics Models: The Benzene Dimer Case

Karol Strutyński; José A. N. F. Gomes; Manuel Melle-Franco

doi:10.1021/jp506860t

journal article Sep 26, 2014

Accuracy of Dispersion Interactions in Semiempirical and Molecular Mechanics Models: The Benzene Dimer Case

Karol Strutyński

José A. N. F. Gomes Manuel Melle-Franco

The Journal of Physical Chemistry A Vol. 118 No. 40 pp. 9561-9567 · American Chemical Society (ACS)

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Details

Published: Sep 26, 2014
Vol/Issue: 118(40)
Pages: 9561-9567

Authors

K

Karol Strutyński

REQUIMTE, Departamento de Química, Faculdade de Ciências, Universidade do Porto, Rua do Campo Alegre S/N, 4169-007 Porto, Portugal

J

José A. N. F. Gomes

REQUIMTE, Departamento de Química, Faculdade de Ciências, Universidade do Porto, Rua do Campo Alegre S/N, 4169-007 Porto, Portugal

M

Manuel Melle-Franco

Departamento de Informática, Centro de Ciências e Tecnologias da Computação, Universidade do Minho, 4710-057 Braga, Portugal

Funding

Fundação para a Ciência e a Tecnologia Award: CONC-REEQ/443/2005

European Commission Directorate-General for Research and Innovation Award: 228398

Cite This Article

Karol Strutyński, José A. N. F. Gomes, Manuel Melle-Franco (2014). Accuracy of Dispersion Interactions in Semiempirical and Molecular Mechanics Models: The Benzene Dimer Case. The Journal of Physical Chemistry A, 118(40), 9561-9567. https://doi.org/10.1021/jp506860t

Accuracy of Dispersion Interactions in Semiempirical and Molecular Mechanics Models: The Benzene Dimer Case

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