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1 Ergebnisse
1
Chemical reactivity and spectroscopy explored from QM/MM mo..:
Marcolongo, Juan Pablo
;
Zeida Camacho, Ari Fernando
;
Semelak, Jonathan Alexis
...
info:eu-repo/semantics/altIdentifier/url/http://journal.frontiersin.org/article/10.3389/fchem.2018.00070/full. ,
Link:
http://hdl.handle.net/11336/89662
RT Journal T1
Chemical reactivity and spectroscopy explored from QM/MM molecular dynamics simulations using the LIO code
UL https://suche.suub.uni-bremen.de/peid=base-ftconicet:oai:ri.conicet.gov.ar:11336_89662&Exemplar=1&LAN=DE A1 Marcolongo, Juan Pablo A1 Zeida Camacho, Ari Fernando A1 Semelak, Jonathan Alexis A1 Foglia, Nicolás Oscar A1 Morzan, Uriel A1 Estrin, Dario Ariel A1 González Lebrero, Mariano Camilo A1 Scherlis Perel, Damian Ariel PB Frontiers Media SA K1 DFT K1 FREE ENERGY K1 GPU K1 QM/MM K1 TDDFT K1 https://purl.org/becyt/ford/1.4 K1 https://purl.org/becyt/ford/1 JF info:eu-repo/semantics/altIdentifier/url/http://journal.frontiersin.org/article/10.3389/fchem.2018.00070/full LK http://hdl.handle.net/11336/89662 DO http://hdl.handle.net/11336/89662 SF ELIB - SuUB Bremen
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