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1 Ergebnisse
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MoBioTools: a toolkit to setup quantum mechanics/molecular ..:
Cárdenas, Gustavo
;
Lucia Tamudo, Jesús
;
Mateo de la Fuente, Henar
...
Journal of Computational Chemistry. , 2022
Link:
http://hdl.handle.net/10486/705772
RT Journal T1
MoBioTools: a toolkit to setup quantum mechanics/molecular mechanics calculations
UL https://suche.suub.uni-bremen.de/peid=base-ftuamadrid:oai:repositorio.uam.es:10486_705772&Exemplar=1&LAN=DE A1 Cárdenas, Gustavo A1 Lucia Tamudo, Jesús A1 Mateo de la Fuente, Henar A1 Palmisano, Vito F A1 Anguita Ortiz, Nuria A1 Ruano, Lorena A1 Pérez Barcia, Alvaro A1 Díaz-Tendero Victoria, Sergio A1 Mandado, Marcos A1 Nogueira Pérez, Juan José PB Wiley YR 2022 K1 Active Space K1 Electrostatic Embedding K1 Energy Decomposition Analysis K1 Molecular Dynamics K1 Open-source QM/MM software K1 Photochemistry K1 Reduction Potentials K1 Química JF Journal of Computational Chemistry LK http://hdl.handle.net/10486/705772 DO http://hdl.handle.net/10486/705772 SF ELIB - SuUB Bremen
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