Contribución al estudio teórico de la influencia del disolvente sobre transiciones electrónicas y estados excitados en disolución empleando el método ASEP/MD

The ASEP/MD method (Averaged Solvent Electrostatic Potential from Molecular Dynamics) was extended to the study of photochemical properties of systems in condesed phase. Methods to calculate free energy differences related with electronic transitions and crossing points between potential energy surfaces in condensed phase were developed.

Grantor dc:publisher

Universidad de Extremadura (España)

Year dc:date

2006

Author dc:creator

• Muñoz Losa, Aurora

Contributors dc:contributor

• Olivares del Valle, Francisco Javier (Universidad de Extremadura)
• Aguilar Espinosa, Miguel Ángel (Universidad de Extremadura)

Statement dc:rights

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Language dc:language

spa

Identifier

(Tesis) ISBN 978-84-7723-847-8

OAI identifier oai:identifier

oai:dialnet.unirioja.es:TES0000001264