Autor:	Amy T, Merrill, Dean J, Tantillo
Rok vydání:	2019
Zdroj:	Magnetic resonance in chemistry : MRCREFERENCES. 58(6)
ISSN:	1097-458X
Popis:	The effects of including (a) implicit solvent in geometry optimizations, (b) conformationally flexible molecules in test sets, and (c) empirical dispersion D3(BJ) on scaling factors for predicting
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=pmid________::83a873d2087bbc597711ac3935633539 https://pubmed.ncbi.nlm.nih.gov/31883397 Zobrazit plný text záznamu Plný text