Predicting fluorescence quantum yields for molecules in solution: A critical assessment of the harmonic approximation and the choice of the lineshape function.

Humeniuk, Alexander; Buzancic, Margarita; Hoche, Joscha; Cerezo, Javier; Mitric, Roland; Santoro, Fabrizio; Bonacic-Koutecký, Vlasta

Humeniuk, Alexander; Buzancic, Margarita; Hoche, Joscha; Cerezo, Javier; Mitric, Roland; Santoro, Fabrizio; Bonacic-Koutecký, Vlasta.

Afiliação

Humeniuk A; Institut für Physikalische und Theoretische Chemie, Universität Würzburg, Am Hubland, 97074 Würzburg, Germany.
Buzancic M; Center of Excellence for Science and Technology-Integration of Mediterranean Region (STIM), Faculty of Science, University of Split, Poljicka cesta 35, 2100 Split, Croatia.
Hoche J; Institut für Physikalische und Theoretische Chemie, Universität Würzburg, Am Hubland, 97074 Würzburg, Germany.
Cerezo J; Departamento de Química, Facultad de Ciencias, Universidad Autónoma de Madrid, 28049 Madrid, Spain.
Mitric R; Institut für Physikalische und Theoretische Chemie, Universität Würzburg, Am Hubland, 97074 Würzburg, Germany.
Santoro F; Istituto di Chimica dei Composti Organometallici (ICCOM-CNR), Area della Ricerca del CNR, Via Moruzzi 1, I-56124 Pisa, Italy.
Bonacic-Koutecký V; Center of Excellence for Science and Technology-Integration of Mediterranean Region (STIM), Faculty of Science, University of Split, Poljicka cesta 35, 2100 Split, Croatia.

J Chem Phys ; 152(5): 054107, 2020 Feb 07.

Article em En | MEDLINE | ID: mdl-32035434

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Qualitative_research / Risk_factors_studies Idioma: En Revista: J Chem Phys Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Alemanha País de publicação: Estados Unidos

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