Explicit versus Implicit Solvation Effects on the First Hyperpolarizability of an Organic Biphotochrome-Reference-Cited by-同舟云学术

Explicit versus Implicit Solvation Effects on the First Hyperpolarizability of an Organic Biphotochrome

Published:2015-03-18 Issue:21 Volume:119 Page:5496-5503
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Quertinmont Jean¹,Champagne Benoît¹,Castet Frédéric²,Hidalgo Cardenuto Marcelo¹³

Affiliation:

1. Laboratoire de Chimie Théorique, Unité de Chimie Physique Théorique et Structurale, University of Namur, rue de Bruxelles, 61, B-5000 Namur, Belgium

2. Institut des Sciences Moléculaires (ISM), Université de Bordeaux, UMR 5255 CNRS, Cours de la Libération 351, F-33405 Talence Cedex, France

3. Instituto de Física, Universidade de São Paulo, CP 66318, 05314-970 São Paulo, SP, Brazil

Funder

Federaal Wetenschapsbeleid

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Universidade de São Paulo

Francqui Foundation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.5b00631

Reference52 articles.

1. Effect of the surroundings on atomic and molecular properties

2. Experimental investigations of organic molecular nonlinear optical polarizabilities. 1. Methods and results on benzene and stilbene derivatives

3. Analytical derivatives for molecular solutes. III. Hartree–Fock static polarizability and hyperpolarizabilities in the polarizable continuum model

4. Analytical Hartree–Fock calculation of the dynamical polarizabilities α, β, and γ of molecules in solution

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