Energy transfer upon collision of selectively excited CO2 molecules: State-to-state cross sections and probabilities for modeling of atmospheres and gaseous flows A Lombardi, N Faginas-Lago, L Pacifici, G Grossi
The Journal of Chemical Physics 143 (3), 034307, 2015
49 2015 A high‐level ab initio study of the N2 + N2 reaction channel L Pacifici, M Verdicchio, NF Lago, A Lombardi, A Costantini
Journal of Computational Chemistry 34 (31), 2668-2676, 2013
49 2013 Modeling of Energy Transfer From Vibrationally Excited CO2 Molecules: Cross Sections and Probabilities for Kinetic Modeling of Atmospheres, Flows, and Plasmas A Lombardi, N Faginas-Lago, L Pacifici, A Costantini
The Journal of Physical Chemistry A 117 (45), 11430-11440, 2013
47 2013 VMSLab-G: a virtual laboratory prototype for molecular science on the Grid O Gervasi, A Riganelli, L Pacifici, A Lagana
Future Generation Computer Systems 20 (5), 717-726, 2004
43 2004 An innovative synergistic grid approach to the computational study of protein aggregation mechanisms N Faginas-Lago, M Albertí, A Costantini, A Laganà, A Lombardi, L Pacifici
Journal of molecular modeling 20, 1-9, 2014
34 2014 Time-dependent wavepacket calculations for the system on a LEPS surface: inelastic and reactive probabilities D Skouteris*, L Pacifici, A Laganà
Molecular Physics 102 (21-22), 2237-2248, 2004
24 2004 A nonorthogonal coordinate approach to atom-diatom parallel reactive scattering calculations A Laganà, S Crocchianti, N Faginas Lago, L Pacifici, G Ferraro
Collection of Czechoslovak chemical communications 68 (2), 307-330, 2003
24 2003 On the temperature dependence of the rate coefficient of formation of C+ S Rampino, M Pastore, E Garcia, L Pacifici, A Laganà
Monthly Notices of the Royal Astronomical Society 460 (3), 2368-2375, 2016
22 2016 The molecular stirrer catalytic effect in methane ice formation NF Lago, M Albertí, A Laganà, A Lombardi, L Pacifici, A Costantini
Computational Science and Its Applications–ICCSA 2014: 14th International …, 2014
22 2014 A Dynamics Investigation of the C + CH+ → C2 + + H Reaction on an ab Initio Bond-Order-Like Potential L Pacifici, M Pastore, E Garcia, A Lagana, S Rampino
The Journal of Physical Chemistry A 120 (27), 5125-5135, 2016
15 2016 Towards the Grid design of the dynamics engine of a molecular simulator AL O Gervasi, S Crocchianti, L Pacifici, D Skouteris
Lecture Series in Computer and Computational Science 7, 1425-1428, 2006
14 * 2006 A quantum-classical study of the OH+ H2 reactive and inelastic collisions C Martí, L Pacifici, A Laganà, C Coletti
Chemical Physics Letters 674, 103-108, 2017
12 2017 A molecular dynamics study for the isomerization of Ar solvated (benzene) 2–K+ heteroclusters M Albertí, L Pacifici, A Lagana, A Aguilar
Chemical physics 327 (1), 105-111, 2006
12 2006 A Theoretical Investigation of the Reaction N(2 D) + C6 H6 and Implications for the Upper Atmosphere of Titan N Balucani, L Pacifici, D Skouteris, A Caracciolo, P Casavecchia, M Rosi
Computational Science and Its Applications–ICCSA 2018: 18th International …, 2018
11 2018 A Computational Study of the Reaction N(2 D) + C6 H6 Leading to Pyridine and Phenylnitrene N Balucani, L Pacifici, D Skouteris, A Caracciolo, P Casavecchia, ...
Computational Science and Its Applications–ICCSA 2019: 19th International …, 2019
10 2019 Design and implementation of a Grid application for direct calculations of reactive rates NF Lago, A Lombardi, L Pacifici, A Costantini
Computational and Theoretical Chemistry 1022, 103-107, 2013
10 2013 Computational Science and Its Applications-ICCSA 2014 N Faginas-Lago, M Albertí, A Laganà, A Lombardi, L Pacifici, A Costantini
Lecture Notes in Computer Science 8579, 585-600, 2014
9 2014 An experimental and theoretical investigation of 1-butanol pyrolysis M Rosi, D Skouteris, N Balucani, C Nappi, N Faginas Lago, L Pacifici, ...
Frontiers in Chemistry 7, 326, 2019
8 2019 A Computational Study on the Insertion of N(2 D) into a C—H or C—C Bond: The Reactions of N(2 D) with Benzene and Toluene and Their Implications on the … M Rosi, L Pacifici, D Skouteris, A Caracciolo, P Casavecchia, S Falcinelli, ...
Computational Science and Its Applications–ICCSA 2020: 20th International …, 2020
7 2020 A time dependent study of the nitrogen atom nitrogen molecule reaction A Laganà, L Pacifici, D Skouteris
Computational Science and Its Applications–ICCSA 2004: International …, 2004
7 2004 