Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Matthew A. Adreance"'
Autor:
Fuyu Guan, Savannah Fay, Matthew A. Adreance, Leif K. McGoldrick, Rachel M. Proctor, Jaclyn R. Missanelli, Youwen You, Mary A. Robinson
Publikováno v:
Drug Testing and Analysis.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8968d118e31c33ab3886d36b9baa76b3
https://doi.org/10.1002/dta.3445
https://doi.org/10.1002/dta.3445
Autor:
Fuyu Guan, Youwen You, Savannah Fay, Matthew A. Adreance, Leif K. McGoldrick, Mary A. Robinson
Publikováno v:
Talanta. 258:124446
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e69a9b77df293f77eac3d605f8d5c77e
https://doi.org/10.1016/j.talanta.2023.124446
https://doi.org/10.1016/j.talanta.2023.124446
Publikováno v:
Journal of Computational Chemistry. 40:310-315
The Grimme-D3 semi-empirical dispersion energy correction has been implemented for the original effective fragment potential for water (EFP1), and for systems that contain water molecules described by both correlated ab initio quantum mechanical (QM)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::30d585507d7336d62984e3300a847f40
https://doi.org/10.1002/jcc.25596
https://doi.org/10.1002/jcc.25596