| 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 | 250 | 2012 |
| 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 | 233 | 2013 |
| First-principle computation of absorption and fluorescence spectra in solution accounting for vibronic structure, temperature effects and solvent inhomogenous broadening FJA Ferrer, J Cerezo, J Soto, R Improta, F Santoro Computational and Theoretical Chemistry 1040, 328-337, 2014 | 105 | 2014 |
| 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 | 95 | 2011 |
| Modeling solvent broadening on the vibronic spectra of a series of coumarin dyes. From implicit to explicit solvent models J Cerezo, FJ Avila Ferrer, G Prampolini, F Santoro Journal of chemical theory and computation 11 (12), 5810-5825, 2015 | 82 | 2015 |
| Vibrationally Resolved Absorption and Emission Spectra of Dithiophene in the Gas Phase and in Solution by First-Principle Quantum Mechanical Calculations E Stendardo, F Avila Ferrer, F Santoro, R Improta Journal of Chemical Theory and Computation 8 (11), 4483-4493, 2012 | 78 | 2012 |
| Harmonic models in cartesian and internal coordinates to simulate the absorption spectra of carotenoids at finite temperatures J Cerezo, J Zúñiga, A Requena, FJ Ávila Ferrer, F Santoro Journal of Chemical Theory and Computation 9 (11), 4947-4958, 2013 | 75 | 2013 |
| Adiabatic-molecular dynamics generalized vertical hessian approach: a mixed quantum classical method to compute electronic spectra of flexible molecules in the condensed phase J Cerezo, D Aranda, FJ Avila Ferrer, G Prampolini, F Santoro Journal of Chemical Theory and Computation 16 (2), 1215-1231, 2019 | 74 | 2019 |
| Duschinsky, Herzberg–Teller, and Multiple Electronic Resonance Interferential Effects in Resonance Raman Spectra and Excitation Profiles. The Case of Pyrene FJ Avila Ferrer, V Barone, C Cappelli, F Santoro Journal of Chemical Theory and Computation 9 (8), 3597-3611, 2013 | 73* | 2013 |
| How the electrode potential controls the selection rules of the charge transfer mechanism of SERS F Avila, C Ruano, I Lopez-Tocon, JF Arenas, J Soto, JC Otero Chemical Communications 47 (14), 4213-4215, 2011 | 65 | 2011 |
| Modelling the effect of the electrode potential on the metal–adsorbate surface states: relevant states in the charge transfer mechanism of SERS F Avila, DJ Fernandez, JF Arenas, JC Otero, J Soto Chemical Communications 47 (14), 4210-4212, 2011 | 64 | 2011 |
| Absorption and Emission Spectral Shapes of a Prototype Dye in Water by Combining Classical/Dynamical and Quantum/Static Approaches A Petrone, J Cerezo, FJA Ferrer, G Donati, R Improta, N Rega, F Santoro The Journal of Physical Chemistry A 119 (21), 5426-5438, 2015 | 58 | 2015 |
| Quantum-classical effective-modes dynamics of the ππ*→ nπ* decay in 9H-adenine. A quadratic vibronic coupling model D Picconi, FJA Ferrer, R Improta, A Lami, F Santoro Faraday discussions 163, 223-242, 2013 | 50 | 2013 |
| Approach to the atmospheric chemistry of methyl nitrate and methylperoxy nitrite. Chemical mechanisms of their formation and decomposition reactions in the gas phase JF Arenas, FJ Avila, JC Otero, D Peláez, J Soto The Journal of Physical Chemistry A 112 (2), 249-255, 2008 | 44 | 2008 |
| Photodissociation mechanism of methyl nitrate. A study with the multistate second-order multiconfigurational perturbation theory J Soto, D Peláez, JC Otero, FJ Avila, JF Arenas Physical Chemistry Chemical Physics 11 (15), 2631-2639, 2009 | 43 | 2009 |
| The Lineshape of the Electronic Spectrum of the Green Fluorescent Protein Chromophore, Part II: Solution Phase FJ Avila Ferrer, MD Davari, D Morozov, G Groenhof, F Santoro ChemPhysChem 15 (15), 3246-3257, 2014 | 39 | 2014 |
| An MS-CASPT2 study of the photodecomposition of 4-methoxyphenyl azide: role of internal conversion and intersystem crossing D Aranda, FJ Avila, I López-Tocón, JF Arenas, JC Otero, J Soto Physical Chemistry Chemical Physics 20 (11), 7764-7771, 2018 | 35 | 2018 |
| Analysis of the Potential Dependent Surface-Enhanced Raman Scattering of p-Aminothiophenol on the Basis of MS-CASPT2 Calculations MR Lopez-Ramirez, D Aranda Ruiz, FJ Avila Ferrer, SP Centeno, ... The Journal of Physical Chemistry C 120 (34), 19322-19328, 2016 | 34 | 2016 |
| Conical intersections and intersystem crossings explain product formation in photochemical reactions of aryl azides J Soto, JC Otero, FJ Avila, D Peláez Physical Chemistry Chemical Physics 21 (5), 2389-2396, 2019 | 33 | 2019 |
| Quantum‐Classical Calculation of the Absorption and Emission Spectral Shapes of Oligothiophenes at Low and Room Temperature by First‐Principle Calculations R Improta, FJA Ferrer, E Stendardo, F Santoro ChemPhysChem 15 (15), 3320-3333, 2014 | 33 | 2014 |
Fabrizio SantoroCNRVerified email at pi.iccom.cnr.it
