Repositorio Institucional de la Universidad de Oviedo

Atom-Centered Potentials with Dispersion-Corrected Minimal-Basis-Set Hartree–Fock: An Efficient and Accurate Computational Approach for Large Molecular Systems

Author:

Kumar Prasad, Viki; Otero de la Roza, Alberto; DiLabio, Gino A.

Publication date:

2018

Publisher version:

http://dx.doi.org/10.1021/acs.jctc.7b01158

Citación:

Journal of Chemical Theory and Computation, 14(2), p. 726-738 (2018); doi:10.1021/acs.jctc.7b01158

Descripción física:

p. 726-738

URI:

http://hdl.handle.net/10651/50891

ISSN:

1549-9618

DOI:

10.1021/acs.jctc.7b01158