Insights for an Accurate Comparison of Computational Data to Experimental Absorption and Emission Spectra: Beyond the Vertical Transition Approximation-Reference-Cited by-同舟云学术

Insights for an Accurate Comparison of Computational Data to Experimental Absorption and Emission Spectra: Beyond the Vertical Transition Approximation

Published:2013-03-07 Issue:4 Volume:9 Page:2072-2082
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Avila Ferrer Francisco J.¹²,Cerezo Javier¹³,Stendardo Emiliano⁴,Improta Roberto⁴,Santoro Fabrizio¹

Affiliation:

1. CNR—Consiglio Nazionale delle Ricerche, Istituto di Chimica dei Composti Organo Metallici (ICCOM-CNR), UOS di Pisa, Area della Ricerca, via G. Moruzzi 1, I-56124 Pisa, Italy

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

3. Departamento de Quı́mica Fı́sica, Universidad de Murcia, 30100 Murcia, Spain

4. CNR—Consiglio Nazionale delle Ricerche, Istituto di Biostrutture Biommagini (IBB-CNR) Via Mezzocannone 16, I-80136, Napoli, Italy

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct301107m

Reference82 articles.

1. Single-Reference ab Initio Methods for the Calculation of Excited States of Large Molecules

2. Implementation and validation of a multi-purpose virtual spectrometer for large systems in complex environments

3. Accurate Simulation of Optical Properties in Dyes

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