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Giovanni Scalmani
Giovanni Scalmani
Gaussian, Inc.
Verified email at gaussian.com - Homepage
Title
Cited by
Cited by
Year
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
70102003
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
25362002
Continuous surface charge polarizable continuum models of solvation. I. General formalism
G Scalmani, MJ Frisch
The Journal of chemical physics 132 (11), 114110, 2010
20812010
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
11782006
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
7082006
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
4762006
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
4422007
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
4112009
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
4092006
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
3732001
Assessment of the efficiency of long-range corrected functionals for some properties of large compounds
D Jacquemin, EA Perpète, G Scalmani, MJ Frisch, R Kobayashi, C Adamo
The Journal of chemical physics 126 (14), 144105, 2007
3192007
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
2502010
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
1952011
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
1892009
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), 191108, 2007
1752007
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
1332010
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
1292006
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
1282004
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
1182006
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
1162011
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