Molecular Response Functions for the Polarizable Continuum Model : Physical basis and quantum mechanical formalism /

Detalles Bibliográficos
Autor principal: Cammi, Roberto. (Autor)
Autor Corporativo: SpringerLink (Online service)
Formato: eBook
Lenguaje:English
Publicado: Cham : Springer International Publishing : Imprint: Springer, 2013.
Edición:1st ed. 2013.
Colección:SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters,
Materias:
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020 |a 9783319009872 
024 7 |a 10.1007/978-3-319-00987-2  |2 doi 
040 |a Sistema de Bibliotecas del Tecnológico de Costa Rica 
100 1 |a Cammi, Roberto.  |e author. 
245 1 0 |a Molecular Response Functions for the Polarizable Continuum Model :  |b Physical basis and quantum mechanical formalism /  |c by Roberto Cammi. 
250 |a 1st ed. 2013. 
260 # # |a Cham :  |b Springer International Publishing :  |b Imprint: Springer,  |c 2013. 
300 |a XVI, 58 p. :  |b online resource. 
336 |a text  |b txt  |2 rdacontent 
337 |a computer  |b c  |2 rdamedia 
338 |a online resource  |b cr  |2 rdacarrier 
490 1 |a SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters, 
505 0 |a Introduction -- The PCM model for solvated molecules -- The definition of the basic model -- The basic energy functional -- The Quantum Mechanical problem -- The Coupled-cluster equations -- Analytical derivatives theory for molecular solute -- Solute molecular properties -- The coupled-cluster analytical derivatives -- Response theory for molecules in solution -- General response theory for the Polarizable Contiuum Model -- The coupled-cluster response theory. 
650 0 |a Chemistry, Physical and theoretical. 
650 0 |a Physical chemistry. 
650 0 |a Condensed matter. 
650 1 4 |a Theoretical and Computational Chemistry. 
650 2 4 |a Physical Chemistry. 
650 2 4 |a Condensed Matter Physics. 
710 2 |a SpringerLink (Online service) 
773 0 |t Springer eBooks