Modeling Solvent Broadening on the Vibronic Spectra of a Series of Coumarin Dyes. From Implicit to Explicit Solvent Models-Reference-Cited by-同舟云学术

Modeling Solvent Broadening on the Vibronic Spectra of a Series of Coumarin Dyes. From Implicit to Explicit Solvent Models

Published:2015-11-24 Issue:12 Volume:11 Page:5810-5825
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Cerezo Javier¹,Avila Ferrer Francisco J.¹²,Prampolini Giacomo¹,Santoro Fabrizio¹

Affiliation:

1. Istituto di Chimica dei Composti OrganoMetallici, Consiglio Nazionale delle Richerche (ICCOM-CNR), Area della Ricerca, via G. Moruzzi 1, I-56124 Pisa, Italy

2. Physical Chemistry, Faculty of Science, University of Málaga, Málaga 29071, Spain

Funder

Ministero dell'Istruzione, dell'Università e della Ricerca

Fundación Ramón Areces

Directorate-General for Research and Innovation

Istituto Italiano di Tecnologia

Seventh Framework Programme

Ministerio de Economía y Competitividad

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b00870

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4. Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution

5. Erratum: “Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution” [J. Chem. Phys. 126, 084509 (2007)]

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