Computational Protocol for Modeling Thermochromic Molecular Crystals: Salicylidene Aniline As a Case Study

Author:

Presti Davide1,Labat Fréderic2,Pedone Alfonso1,Frisch Michael J.3,Hratchian Hrant P.4,Ciofini Ilaria2,Menziani Maria Cristina1,Adamo Carlo25

Affiliation:

1. Dipartimento di Scienze Chimiche e Geologiche, Università di Modena e Reggio-Emilia, 183 via G. Campi, I-41125 Modena, Modena, Italy

2. Institut de Recherche de Chimie Paris CNRS, Chimie ParisTech, 11 rue P. et M. Curie, F-75005 Paris 05, France

3. Gaussian, Inc., 340 Quinnipiac Street, Building 40, Wallingford, Connecticut 06492, United States

4. Chemistry and Chemical Biology, University of California, Merced, California 95343, United States

5. Institut Universitaire de France, 103 Boulevard Saint Michel, F-75005 Paris, France

Funder

Regione Emilia-Romagna

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

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