Computational protocol for modeling thermochromic molecular crystals: Salicylidene aniline as a case study

Journal of Chemical Theory and Computation

Volumn 10, Issue 12, 2014, Pages 5577-5585

  Presti, Davide ^a   Labat, Fréderic ^b   Pedone, Alfonso ^a   Frisch, Michael J ^c   Hratchian, Hrant P ^d   Ciofini, Ilaria ^b   Menziani, Maria Cristina ^a   Adamo, Carlo ^b,e  

^a UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

^b CNRS   (France)

^c GAUSSIAN INC   (United States)

^d UNIVERSITY OF CALIFORNIA   (United States)

^e INSTITUT UNIVERSITAIRE DE FRANCE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84916212622     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct500868s     Document Type: Article

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