| Energies, structures, and electronic properties of molecules in solution with the C‐PCM solvation model M Cossi, N Rega, G Scalmani, V Barone Journal of computational chemistry 24 (6), 669-681, 2003 | 8329 | 2003 |
| New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution M Cossi, G Scalmani, N Rega, V Barone The Journal of Chemical Physics 117 (1), 43-54, 2002 | 2754 | 2002 |
| Continuous surface charge polarizable continuum models of solvation. I. General formalism G Scalmani, MJ Frisch The Journal of chemical physics 132 (11), 114110, 2010 | 2745 | 2010 |
| Geometries and properties of excited states in the gas phase and in solution: Theory and application of a time-dependent density functional theory polarizable continuum model G Scalmani, MJ Frisch, B Mennucci, J Tomasi, R Cammi, V Barone The Journal of chemical physics 124 (9), 094107, 2006 | 1412 | 2006 |
| 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), 054103, 2006 | 833 | 2006 |
| Formation and relaxation of excited states in solution: A new time dependent polarizable continuum model based on time dependent density functional theory M Caricato, B Mennucci, J Tomasi, F Ingrosso, R Cammi, S Corni, ... The Journal of chemical physics 124 (12), 124520, 2006 | 606 | 2006 |
| Can short-range hybrids describe long-range-dependent properties? TM Henderson, AF Izmaylov, G Scalmani, GE Scuseria The Journal of chemical physics 131 (4), 044108, 2009 | 553 | 2009 |
| 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), 074504, 2007 | 511 | 2007 |
| 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 |
| Polarizable dielectric model of solvation with inclusion of charge penetration effects M Cossi, N Rega, G Scalmani, V Barone The Journal of Chemical Physics 114 (13), 5691-5701, 2001 | 414 | 2001 |
| Assessment of the efficiency of long-range corrected functionals for some properties of large compounds D Jacquemin, EA Perpete, G Scalmani, MJ Frisch, R Kobayashi, C Adamo The Journal of chemical physics 126 (14), 144105, 2007 | 347 | 2007 |
| Harmonic and anharmonic vibrational frequency calculations with the double-hybrid B2PLYP method: analytic second derivatives and benchmark studies M Biczysko, P Panek, G Scalmani, J Bloino, V Barone J. Chem. Theory Comput 6 (7), 2115-2125, 2010 | 324 | 2010 |
| Practical computation of electronic excitation in solution: vertical excitation model AV Marenich, CJ Cramer, DG Truhlar, CA Guido, B Mennucci, G Scalmani, ... Chemical Science 2 (11), 2143-2161, 2011 | 238 | 2011 |
| A TD-DFT investigation of ground and excited state properties in indoline dyes used for dye-sensitized solar cells T Le Bahers, T Pauporté, G Scalmani, C Adamo, I Ciofini Physical chemistry chemical physics 11 (47), 11276-11284, 2009 | 214 | 2009 |
| First hyperpolarizability of polymethineimine with long-range corrected functionals D Jacquemin, EA Perpète, M Medved, G Scalmani, MJ Frisch, ... The Journal of chemical physics 126 (19), 2007 | 191 | 2007 |
| A variational formulation of the polarizable continuum model F Lipparini, G Scalmani, B Mennucci, E Cancès, M Caricato, MJ Frisch The Journal of chemical physics 133 (1), 014106, 2010 | 170 | 2010 |
| Time-dependent density functional tight binding: new formulation and benchmark of excited states F Trani, G Scalmani, G Zheng, I Carnimeo, MJ Frisch, V Barone Journal of chemical theory and computation 7 (10), 3304-3313, 2011 | 147 | 2011 |
| Time-dependent density functional theory investigation of the absorption, fluorescence, and phosphorescence spectra of solvated coumarins D Jacquemin, EA Perpète, G Scalmani, MJ Frisch, X Assfeld, I Ciofini, ... The Journal of chemical physics 125 (16), 164324, 2006 | 143 | 2006 |
| Achieving linear-scaling computational cost for the polarizable continuum model of solvation G Scalmani, V Barone, KN Kudin, CS Pomelli, GE Scuseria, MJ Frisch Theoretical Chemistry Accounts 111 (2-6), 90-100, 2004 | 138 | 2004 |
| A New Mixing of Hartree–Fock and Local Density-functional Theories G Scalmani, MJ Frisch, B Mennucci, J Tomasi, R Cammi, V Barone J. Chem. Phys. 124, 1-22, 2006 | 125 | 2006 |
