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Polarizable continuum model molecular response functions

Molecular Response Functions for the Polarizable Continuum Model... [Pg.1]

The aim of this book is to present the basic aspects of the molecular response function theory for molecular systems in solution described with the Polarizable Continuum Model, giving special emphasis both to the physical basis of the theory and to its quantum chemical formalism. The QM formalism will be presented in the form of the coupled-cluster theory, as it is the most recent and less known formulation for the QM calculation of molecular properties within the PCM... [Pg.7]

The author would like to thank his mentor Prof. J. Tomasi, and the colleagues C. Cappelli, S. Corni, M. Cossi, L. Frediani, M. Caricato, B. Mennucci, and C. Pomelli, who have contributed to the developments of the Molecular Response Functions method for the Polarizable Continuum Model. The author also thanks Prof. G. Maroulis for the invitation to contribute with a volume to this Springer Series, and Gaussian Inc. for support. [Pg.10]

R. Cammi, Molecular Response Functions for the Polarizable Continuum Model, Springer Briefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters, DOl 10.1007/978-3-319-00987-2 l, The Author(s) 2013... [Pg.15]


See other pages where Polarizable continuum model molecular response functions is mentioned: [Pg.486]    [Pg.483]    [Pg.32]    [Pg.53]    [Pg.153]    [Pg.84]    [Pg.197]    [Pg.335]   
See also in sourсe #XX -- [ Pg.249 , Pg.250 , Pg.251 , Pg.252 ]




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Continuum function

Continuum modeling

Continuum modelling

Functional modeling

Functional models

Model function

Molecular functionality

Molecular polarizabilities

Molecular polarizability

Molecular response

Polarizable Continuum Model

Polarizable continuum

Polarizable continuum model models

Polarizable model

Response functions

Response model

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