RAMPINO, SERGIO

RAMPINO, SERGIO  

DIPARTIMENTO DI CHIMICA (attivo dal 01/11/1982 al 31/12/2013)  

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Risultati 1 - 18 di 18 (tempo di esecuzione: 0.05 secondi).
Titolo Data di pubblicazione Autore(i) File
A comparison of the isotope effect for the N + N2 reaction calculated on two potential energy surfaces 1-gen-2008 Rampino, Sergio; Skouteris, Dimitrios; Lagana', Antonio; E., Garcia
A comparison of the quantum state-specific efficiency of N+N2 reaction computed on different potential energy surfaces 1-gen-2009 Rampino, Sergio; Skouteris, Dimitrios; Lagana', Antonio; Garcia, E.; Saracibar, A.
A priori modeling of chemical reactions on a grid-based virtual laboratory 1-gen-2010 Rampino, Sergio; A., Monari; S., Evangelisti; E., Rossi; K., Ruud; Lagana', Antonio
A priori modeling of chemical reactions on computational grid platforms: workflows and data models 1-gen-2012 Rampino, Sergio; Monari, A.; Evangelisti, S.; Rossi, E.; Lagana', Antonio
An ab initio benchmark and DFT validation study on Gold(I)-catalyzed hydroamination of alkynes 1-gen-2014 Ciancaleoni, Gianluca; Rampino, Sergio; Zuccaccia, D.; Tarantelli, Francesco; Belanzoni, Paola; Belpassi, Leonardo
Accurate quantum dynamics on Grid platforms: some effects of long range interactions on the reactivity of N + N2 1-gen-2010 Rampino, Sergio; E., Garcia; Pirani, Fernando; Lagana', Antonio
An Extension of the Grid Empowered Molecular Simulator to Quantum Reactive Scattering 1-gen-2012 Rampino, Sergio; FAGINAS LAGO, Maria Noelia; Lagana', Antonio; Huarte Larrañaga, F.
Bond Order uniform grids for quantum reactive scattering 1-gen-2012 Rampino, Sergio; Lagana', Antonio
Charge-displacement analysis via natural orbitals for chemical valence: Charge transfer effects in coordination chemistry 1-gen-2015 Bistoni, Giovanni; Rampino, Sergio; Tarantelli, Francesco; Belpassi, Leonardo
Code interoperability and standard Data Format in Quantum Chemistry and Dynamics: the Q5/D5cost Data Model 1-gen-2014 E., Rossi; S., Evangelisti; Lagana', Antonio; A., Monari; Rampino, Sergio; M., Verdicchio; C., Angeli; K., Baldridge; G. L., Bendazzoli; S., Borini; R., Cimiraglia; P., Kallay; H. P., Luethi; K., Ruud; J., Sanchez Marin; A., Scemama; P., Szalay; A., Tajti
COMPCHEM: progress towards GEMS a Grid Empowered Molecular Simulator and beyond 1-gen-2010 Costantini, Alessandro; Gervasi, Osvaldo; Manuali, Carlo; FAGINAS LAGO, Maria Noelia; Rampino, Sergio; Lagana', Antonio
Efficient parallel all-electron 4-component Dirac-Kohn-Sham program using a distributed matrix approach. II 1-gen-2013 Storchi, Loriano; Rampino, Sergio; Belpassi, Leonardo; Tarantelli, Francesco; Quiney, Harry M.
Full Parallel Implementation of an All-Electron Four-Component Dirac–Kohn–Sham Program 1-gen-2014 Rampino, Sergio; Belpassi, Leonardo; Tarantelli, Francesco; Storchi, Loriano
How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes 1-gen-2016 Bistoni, Giovanni; Rampino, Sergio; Scafuri, N.; Ciancaleoni, Gianluca; Zuccaccia, Daniele; Belpassi, Leonardo; Tarantelli, Francesco
A STUDY OF THE IMPACT OF LONG RANGE INTERACTIONS ON THE REACTIVITY OF N + N2 USING THE GRID EMPOWERED MOLECULAR SIMULATOR GEMS 1-gen-2010 Rampino, Sergio; Pirani, Fernando; E., Garcia; Lagana', Antonio
Thermal Fluctuations on Förster Resonance Energy Transfer in Dyadic Solar Cell Sensitizers: A Combined Ab Initio Molecular Dynamics and TDDFT Investigation 1-gen-2015 Urzúa-Leiva, Rodrigo A.; Rampino, Sergio; Arratia-Perez, Ramiro; Mosconi, Edoardo; Pastore, Mariachiara; Angelis, Filippo De
Thermal rate coefficients in collinear versus bent transition state reactions: the N + N2 case study. 1-gen-2008 Lagana', Antonio; FAGINAS LAGO, Maria Noelia; Rampino, Sergio; F., HUARTE LARRANAGA; E., Garcia
Time dependent quantum scattering using nonorhogonal coordinates – Parallel approach to the collinear A + BC → AB + C reaction 1-gen-2010 Rampino, Sergio; Lagana', Antonio; G., Ferraro; K., Lawley