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1 Ergebnisse
1
Effect of the QM size, basis set, and polarization on QM/MM..:
Perez Barcia, Álvaro
;
Cárdenas, Gustavo
;
Nogueira Pérez, Juan José
.
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2020-117806GA-I00/ES/DAÑO DE MEMBRANAS Y CONTROL DE CANALES IONICOS FOTOINDUCIDOS. , 2023
Link:
http://hdl.handle.net/11093/4941
RT Journal T1 <Title>Effect of the QM size, basis set, and polarization on QM/MM interaction energy decomposition analysis</Title> UL https://suche.suub.uni-bremen.de/peid=base-ftunivvigo:oai:www.investigo.biblioteca.uvigo.es:11093_4941&Exemplar=1&LAN=DE A1 Perez Barcia, Álvaro A1 Cárdenas, Gustavo A1 Nogueira Pérez, Juan José A1 Mandado Alonso, Marcos PB Journal of Chemical Information and Modeling; Química Física; Química Cuántica YR 2023 K1 2307 Química Física JF info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2020-117806GA-I00/ES/DAÑO DE MEMBRANAS Y CONTROL DE CANALES IONICOS FOTOINDUCIDOS LK http://hdl.handle.net/11093/4941 DO http://hdl.handle.net/11093/4941 SF ELIB - SuUB Bremen
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