Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach
Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach(461 views) Improta R, Scalmani G, Frisch MJ, Barone V
Keywords: Density Functional Theory, Fluorescence, Ground State, Optimization, Phosphorescence, Relaxation Time, Solvents, Continuum Models, Dynamical Solvents, Linear Response (lr) Models, Solutions, Alcohol, Coumarin Derivative, Formaldehyde, Water, Article, Chemical Model, Chemistry, Luminescence, Spectrofluorometry, Statistical Model, Theoretical Model, Ethanol, Luminescent Measurements, Spectrometry, Time Factors, Coumarins Chemistry, Ethanol Chemistry, Formaldehyde Chemistry, Solvents Chemistry, Water Chemistry,
Affiliations: *** IBB - CNR ***
Dipartimento di Chimica, Universit̀ Federico II, Complesso Monte S. Angelo, via Cintia, I-80126 Napoli, Italy
Istituto di Biostrutture e Bioimmagini-CNR, via Mezzocannone 16, 80134 Napoli, Italy
Gaussian, Inc., Wallingford, CT 06492, United States
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Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach
Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach
Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach
Kállay C, Dávid A, Timári S, Nagy EM, Sanna D, Garribba E, Micera G, De Bona P, Pappalardo G, Rizzarelli E, Sóvágó I * Copper(II) complexes of rat amylin fragments(360 views) Dalton T (ISSN: 1477-9234, 1477-9226, 1477-9234electronic), 2011 Oct 14; 40(38): 9711-9721. Impact Factor:3.838 ViewExport to BibTeXExport to EndNote