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Choosing a Functional for Computing Absorption and Fluorescence Band Shapes with TD-DFT

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Year: 2013
Type: article
Source: Journal of Chemical Theory and Computation
DOI: 10.1021/ct4000795
Authors: Azzam Charaf-Eddin, Aurélien Planchat, Benedetta Mennucci, Carlo Adamo, Denis Jacquemin
Institutions: Chimie et Interdisciplinarité, Synthèse, Analyse, Modélisation, Université de Nantes, Nantes Université, University of Pisa, Centre National de la Recherche Scientifique, Chimie ParisTech - PSL, Institut Universitaire de France
Language: English

Topic: Advanced Chemical Physics Studies
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences

Open Access status: closed
OpenAlex ID: W2323215550
FWCI: 17.26
Cites: 138
Cited by: 288
Related to: 10
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