Emanuele Coccia
Emanuele Coccia
Dipartimento di Scienze Chimiche e Farmaceutiche - Universita' di Trieste
Email verificata su units.it - Home page
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Bosonic helium droplets with cationic impurities: onset of electrostriction and snowball effects from quantum calculations
E Coccia, E Bodo, F Marinetti, FA Gianturco, E Yildrim, M Yurtsever, ...
The Journal of chemical physics 126 (12), 124319, 2007
532007
Static and dynamical correlation in diradical molecules by quantum Monte Carlo using the Jastrow antisymmetrized geminal power ansatz
A Zen, E Coccia, Y Luo, S Sorella, L Guidoni
Journal of chemical theory and computation 10 (3), 1048-1061, 2014
492014
Manipulating azobenzene photoisomerization through strong light–molecule coupling
J Fregoni, G Granucci, E Coccia, M Persico, S Corni
Nature communications 9 (1), 1-9, 2018
462018
Ab initio geometry and bright excitation of carotenoids: quantum Monte Carlo and many body green’s function theory calculations on peridinin
E Coccia, D Varsano, L Guidoni
Journal of chemical theory and computation 10 (2), 501-506, 2014
462014
Quantum monte carlo treatment of the charge transfer and diradical electronic character in a retinal chromophore minimal model
A Zen, E Coccia, S Gozem, M Olivucci, L Guidoni
Journal of chemical theory and computation 11 (3), 992-1005, 2015
382015
Protein Field Effect on the Dark State of 11-cis Retinal in Rhodopsin by Quantum Monte Carlo/Molecular Mechanics
E Coccia, D Varsano, L Guidoni
Journal of chemical theory and computation 9 (1), 8-12, 2013
322013
Spin-driven structural effects in alkali doped clusters from quantum calculations
S Bovino, E Coccia, E Bodo, D Lopez-Duran, FA Gianturco
The Journal of chemical physics 130 (22), 224903, 2009
322009
Bosonic helium clusters doped by alkali metal cations: interaction forces and analysis of their most stable structures
F Marinetti, E Coccia, E Bodo, FA Gianturco, E Yurtsever, M Yurtsever, ...
Theoretical Chemistry Accounts 118 (1), 53-65, 2007
282007
Molecular electrical properties from quantum Monte Carlo calculations: Application to ethyne
E Coccia, O Chernomor, M Barborini, S Sorella, L Guidoni
Journal of chemical theory and computation 8 (6), 1952-1962, 2012
252012
Ground state structures and electronic excitations of biological chromophores at Quantum Monte Carlo/Many Body Green’s Function Theory level
D Varsano, E Coccia, O Pulci, AM Conte, L Guidoni
Computational and Theoretical Chemistry 1040, 338-346, 2014
242014
Quantum monte carlo study of the retinal minimal model C5H6NH2+
E Coccia, L Guidoni
Journal of computational chemistry 33 (29), 2332-2339, 2012
242012
Structuring a Quantum Solvent around a Weakly Bound Dopant: The He−Cs2(3Σu) Complex
R Prosmiti, G Delgado-Barrio, P Villarreal, E Yurtsever, E Coccia, ...
The Journal of Physical Chemistry A 113 (52), 14718-14729, 2009
232009
Chemical Solutions in a Quantum Solvent: Anionic Electrolytes in 4He Nanodroplets
E Coccia, F Marinetti, E Bodo, FA Gianturco
ChemPhysChem 9 (9), 1323-1330, 2008
232008
Nanoscopic phase changes in doped 4He droplets
E Coccia, E Bodo, FA Gianturco
EPL (Europhysics Letters) 82 (2), 23001, 2008
222008
Ionic dopants in He droplets: cluster energies from a variational and diffusion Monte Carlo approach
E Bodo, E Coccia, D López-Durán, FA Gianturco
Physica Scripta 76 (3), C104, 2007
222007
Anionic microsolvation in helium droplets: structures from classical and quantum calculations
E Coccia, F Marinetti, E Bodo, FA Gianturco
The Journal of chemical physics 128 (13), 134511, 2008
192008
Microsolvation of Cationic Dimers in 4He Droplets: Geometries of (He) N (A= Li, Na, K) from Optimized Energies
F Marinetti, L Uranga-Piña, E Coccia, D López-Durán, E Bodo, ...
The Journal of Physical Chemistry A 111 (49), 12289-12294, 2007
192007
Gaussian continuum basis functions for calculating high‐harmonic generation spectra
E Coccia, B Mussard, M Labeye, J Caillat, R Taïeb, J Toulouse, E Luppi
International Journal of Quantum Chemistry 116 (14), 1120-1131, 2016
172016
Ab initio lifetime correction to scattering states for time-dependent electronic-structure calculations with incomplete basis sets
E Coccia, R Assaraf, E Luppi, J Toulouse
The Journal of chemical physics 147 (1), 014106, 2017
142017
Optimal-continuum and multicentered Gaussian basis sets for high-harmonic generation spectroscopy
E Coccia, E Luppi
Theoretical Chemistry Accounts 135 (2), 43, 2016
142016
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
Articoli 1–20