A density-functional benchmark of vibrational free-energy corrections for molecular crystal polymorphism
Publication date:
2022
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Citación:
Journal of Chemical Physics, 156(11) (2022); doi:10.1063/5.0083082
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Patrocinado por:
Natural Sciences and Engineering Research Council of Canada (NSERC); Government of Nova Scotia; 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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