Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics.

Van Yperen-De Deyne, Andy; De Meyer, Thierry; Pauwels, Ewald; Ghysels, An; De Clerck, Karen; Waroquier, Michel; Van Speybroeck, Veronique; Hemelsoet, Karen

Van Yperen-De Deyne, Andy; De Meyer, Thierry; Pauwels, Ewald; Ghysels, An; De Clerck, Karen; Waroquier, Michel; Van Speybroeck, Veronique; Hemelsoet, Karen.

Affiliation

Van Yperen-De Deyne A; Center for Molecular Modeling (CMM), Ghent University, Technologiepark 903, 9052 Zwijnaarde, Belgium.
De Meyer T; Center for Molecular Modeling (CMM), Ghent University, Technologiepark 903, 9052 Zwijnaarde, Belgium.
Pauwels E; Center for Molecular Modeling (CMM), Ghent University, Technologiepark 903, 9052 Zwijnaarde, Belgium.
Ghysels A; Center for Molecular Modeling (CMM), Ghent University, Technologiepark 903, 9052 Zwijnaarde, Belgium.
De Clerck K; Department of Textiles, Ghent University, Technologiepark 907, 9052 Zwijnaarde, Belgium.
Waroquier M; Center for Molecular Modeling (CMM), Ghent University, Technologiepark 903, 9052 Zwijnaarde, Belgium.
Van Speybroeck V; Center for Molecular Modeling (CMM), Ghent University, Technologiepark 903, 9052 Zwijnaarde, Belgium.
Hemelsoet K; Center for Molecular Modeling (CMM), Ghent University, Technologiepark 903, 9052 Zwijnaarde, Belgium.

J Chem Phys ; 140(13): 134105, 2014 Apr 07.

Article in En | MEDLINE | ID: mdl-24712778

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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Phys Year: 2014 Type: Article Affiliation country: Belgium

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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Phys Year: 2014 Type: Article Affiliation country: Belgium