Minimal basis set Hartree-Fock corrected with atom-centered potentials for molecular crystal modeling and crystal structure prediction
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Publication date:
2022
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Citación:
Journal of Chemical Information and Modeling, 62(17), p. 4107-4121 (2022); doi:10.1021/acs.jcim.2c00656
Descripción física:
p. 4107-4121
ISSN:
Patrocinado por:
Natural Sciences and Engineering Research Council of Canada (NSERC); Canadian Foundation for Innovation; British Columbia Knowledge Development Fund; Spanish Ministerio de Ciencia e innovación, Agencia Estatal de investigación (AEI) [PGC2018-097520-A-100]; Principality of Asturias (FICYT), FEDER [AYUD/2021/51036]; Spanish MINECO [RyC-2016-20301]
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