| A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution R Improta, V Barone, G Scalmani, MJ Frisch The Journal of chemical physics 125 (5), 2006 | 833 | 2006 |
| Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg–Teller effect: The Qx band of porphyrin … F Santoro, A Lami, R Improta, J Bloino, V Barone The Journal of chemical physics 128 (22), 2008 | 637 | 2008 |
| 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), 2007 | 598 | 2007 |
| Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach R Improta, G Scalmani, MJ Frisch, V Barone The Journal of chemical physics 127 (7), 2007 | 511 | 2007 |
| 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 | 495 | 2016 |
| Singlet excited-state behavior of uracil and thymine in aqueous solution: a combined experimental and computational study of 11 uracil derivatives T Gustavsson, A Bányász, E Lazzarotto, D Markovitsi, G Scalmani, ... Journal of the American Chemical Society 128 (2), 607-619, 2006 | 445 | 2006 |
| Interplay of electronic, environmental, and vibrational effects in determining the hyperfine coupling constants of organic free radicals R Improta, V Barone Chemical reviews 104 (3), 1231-1254, 2004 | 381 | 2004 |
| 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), 2007 | 377 | 2007 |
| 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 | 226 | 2013 |
| DNA/RNA: building blocks of life under UV irradiation T Gustavsson, R Improta, D Markovitsi The Journal of Physical Chemistry Letters 1 (13), 2025-2030, 2010 | 220 | 2010 |
| Absorption and fluorescence spectra of uracil in the gas phase and in aqueous solution: A TD-DFT quantum mechanical study R Improta, V Barone Journal of the American Chemical Society 126 (44), 14320-14321, 2004 | 219 | 2004 |
| Absolute pKa determination for carboxylic acids using density functional theory and the polarizable continuum model GAA Saracino, R Improta, V Barone Chemical physics letters 373 (3-4), 411-415, 2003 | 208 | 2003 |
| Ab initio calculations of absorption spectra of large molecules in solution: Coumarin C153 R Improta, V Barone, F Santoro ANGEWANDTE CHEMIE. INTERNATIONAL EDITION 46, 405-408, 2007 | 200 | 2007 |
| Quantum mechanical computations and spectroscopy: From small rigid molecules in the gas phase to large flexible molecules in solution V Barone, R Improta, N Rega Accounts of Chemical Research 41 (5), 605-616, 2008 | 198 | 2008 |
| Understanding the role of stereoelectronic effects in determining collagen stability. 1. A quantum mechanical study of proline, hydroxyproline, and fluoroproline dipeptide … R Improta, C Benzi, V Barone Journal of the American Chemical Society 123 (50), 12568-12577, 2001 | 178 | 2001 |
| 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 | 175 | 2006 |
| Electronic excited states responsible for dimer formation upon UV absorption directly by thymine strands: joint experimental and theoretical study A Banyasz, T Douki, R Improta, T Gustavsson, D Onidas, I Vayá, M Perron, ... Journal of the American Chemical Society 134 (36), 14834-14845, 2012 | 165 | 2012 |
| UV-induced proton transfer between DNA strands Y Zhang, K de La Harpe, AA Beckstead, R Improta, B Kohler Journal of the American Chemical Society 137 (22), 7059-7062, 2015 | 163 | 2015 |
| Structure and conformational behavior of biopolymers by density functional calculations employing periodic boundary conditions. I. The case of polyglycine, polyalanine, and … R Improta, V Barone, KN Kudin, GE Scuseria Journal of the American Chemical Society 123 (14), 3311-3322, 2001 | 151 | 2001 |
| Photoinduced dynamics of guanosine monophosphate in water from broad-band transient absorption spectroscopy and quantum-chemical calculations V Karunakaran, K Kleinermanns, R Improta, SA Kovalenko Journal of the American Chemical Society 131 (16), 5839-5850, 2009 | 142 | 2009 |
Vincenzo BaroneProfessore di Chimica Teorica e Computazionale Scuola Normale SuperioreEmail verificata su sns.it
