Fabrizio Santoro
Fabrizio Santoro
Verified email at pi.iccom.cnr.it
Title
Cited by
Cited by
Year
Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution
F Santoro, R Improta, A Lami, J Bloino, V Barone
The Journal of chemical physics 126 (8), 084509, 2007
4392007
Erratum: Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution (The Journal of Chemical Physics (2007) 126 (084509))
F Santoro, R Improta, A Lami, J Bloino, V Barone
The Journal of Chemical Physics 126, 169903, 2007
439*2007
Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg–Teller effect: The band of …
F Santoro, A Lami, R Improta, J Bloino, V Barone
The Journal of chemical physics 128 (22), 224311, 2008
3732008
Fully integrated approach to compute vibrationally resolved optical spectra: from small molecules to macrosystems
V Barone, J Bloino, M Biczysko, F Santoro
Journal of chemical theory and computation 5 (3), 540-554, 2009
3442009
Effective method to compute vibrationally resolved optical spectra of large molecules at finite temperature in the gas phase and in solution
F Santoro, A Lami, R Improta, V Barone
The Journal of chemical physics 126 (18), 184102, 2007
2862007
Tracking the excited-state time evolution of the visual pigment with multiconfigurational quantum chemistry
LM Frutos, T Andruniów, F Santoro, N Ferré, M Olivucci
Proceedings of the National Academy of Sciences 104 (19), 7764-7769, 2007
2732007
Quantum mechanical studies on the photophysics and the photochemistry of nucleic acids and nucleobases
R Improta, F Santoro, L Blancafort
Chemical reviews 116 (6), 3540-3593, 2016
2432016
General approach to compute vibrationally resolved one-photon electronic spectra
J Bloino, M Biczysko, F Santoro, V Barone
Journal of Chemical Theory and Computation 6 (4), 1256-1274, 2010
2222010
Ab initio calculations of absorption spectra of large molecules in solution: Coumarin C153
R Improta, V Barone, F Santoro
Angewandte Chemie International Edition 46 (3), 405-408, 2007
1772007
Solvent effect on the singlet excited-state lifetimes of nucleic acid bases: a computational study of 5-fluorouracil and uracil in acetonitrile and water
F Santoro, V Barone, T Gustavsson, R Improta
Journal of the American Chemical Society 128 (50), 16312-16322, 2006
1552006
Insights for an accurate comparison of computational data to experimental absorption and emission spectra: beyond the vertical transition approximation
FJ Avila Ferrer, J Cerezo, E Stendardo, R Improta, F Santoro
Journal of chemical theory and computation 9 (4), 2072-2082, 2013
1402013
Influence of base stacking on excited-state behavior of polyadenine in water, based on time-dependent density functional calculations
F Santoro, V Barone, R Improta
Proceedings of the National Academy of Sciences 104 (24), 9931-9936, 2007
1322007
Comparison of vertical and adiabatic harmonic approaches for the calculation of the vibrational structure of electronic spectra
FJA Ferrer, F Santoro
Physical Chemistry Chemical Physics 14 (39), 13549-13563, 2012
1172012
Excited States Decay of the A−T DNA: A PCM/TD-DFT Study in Aqueous Solution of the (9-Methyl-adenine)2·(1-methyl-thymine)2 Stacked Tetramer
F Santoro, V Barone, R Improta
Journal of the American Chemical Society 131 (42), 15232-15245, 2009
1112009
Going beyond the vertical approximation with time‐dependent density functional theory
F Santoro, D Jacquemin
Wiley Interdisciplinary Reviews: Computational Molecular Science 6 (5), 460-486, 2016
1102016
Excited-state behavior of trans and cis isomers of stilbene and stiff stilbene: A TD-DFT study
R Improta, F Santoro
The Journal of Physical Chemistry A 109 (44), 10058-10067, 2005
1012005
An artificial molecular switch that mimics the visual pigment and completes its photocycle in picoseconds
A Sinicropi, E Martin, M Ryazantsev, J Helbing, J Briand, D Sharma, ...
Proceedings of the National Academy of Sciences 105 (46), 17642-17647, 2008
962008
Vibronic coupling in electronic transitions with significant Duschinsky effect
A Peluso, F Santoro, G Del Re
International journal of quantum chemistry 63 (1), 233-244, 1997
781997
Computing the inhomogeneous broadening of electronic transitions in solution: a first-principle quantum mechanical approach
FJA Ferrer, R Improta, F Santoro, V Barone
Physical Chemistry Chemical Physics 13 (38), 17007-17012, 2011
752011
Vibronically Resolved Electronic Circular Dichroism Spectra of (R)-(+)-3-Methylcyclopentanone: A Theoretical Study
N Lin, F Santoro, X Zhao, A Rizzo, V Barone
The Journal of Physical Chemistry A 112 (48), 12401-12411, 2008
742008
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