Sfoglia per Autore
Thermal rate coefficients in collinear versus bent transition state reactions: The N+N2 case study
2008 Laganà, Antonio; Faginas Lago, Noelia; Rampino, Sergio; Huarte-Larrañaga, Fermín; García, Ernesto
A Comparison of the Isotope Effect for the N + N2 Reaction Calculated on Two Potential Energy Surfaces
2008 Rampino, Sergio; Skouteris, Dimitris; Laganà, Antonio; Garcia, Ernesto
The O + O2 reaction : quantum detailed probabilities and thermal rate coefficients
2009 Rampino, Sergio; Skouteris, Dimitrios; Laganà, Antonio
Time dependent quantum scattering using nonorthogonal coordinates - Parallel approach to the collinear A + BC → AB + C reaction
2010 Rampino, Sergio; Laganà, Antonio; Ferraro, Gianni; Lawley, Kenneth
A priori modeling of chemical reactions on a grid based virtual laboratory
2010 Rampino, Sergio; Monari, Antonio; Evangelisti, Stefano; Rossi, Elda; Ruud, Kenneth; Laganà, Antonio
GriF: A Grid framework for a Web Service approach to reactive scattering
2010 Manuali, Carlo; Laganà, Antonio; Rampino, Sergio
COMPCHEM: Progress Towards GEMS a Grid Empowered Molecular Simulator and Beyond
2010 Laganà, Antonio; Costantini, Alessandro; Gervasi, Osvaldo; Faginas Lago, Noelia; Manuali, Carlo; Rampino, Sergio
Accurate Quantum Dynamics on Grid Platforms: Some Effects of Long Range Interactions on the Reactivity of N + N2
2010 Rampino, Sergio; Garcia, Ernesto; Pirani, Fernando; Laganà, Antonio
A study of the impact of long range interactions on the reactivity of N + N2 using the Grid Empowered Molecular Simulator GEMS
2010 Rampino, Sergio; Pirani, Fernando; Garcia, Ernesto; Laganà, Antonio
Microscopic Branching Processes: The O + O-2 Reaction and Its Relaxed Potential Representations
2010 Rampino, Sergio; Skouteris, Dimitris; Laganà, Antonio
Bond Order coordinates for quantum reactive scattering: diatomic eigenvalue problem for collinear H + H2
2011 Rampino, Sergio; Burghardt, Irene; Laganà, Antonio
A priori modeling of chemical reactions on computational grid platforms: Workflows and data models
2012 Rampino, Sergio; Monari, Antonio; Rossi, Elda; Evangelisti, Stefano; Laganà, Antonio
High Performance Grid Computing: getting HPC and HTC all together
2012 Laganà, Antonio; Manuali, Carlo; Rampino, Sergio; Costantini, Alessandro; Rossi, Elda; Carpené, M; Ghiselli, A; Cecchi, M
Bond order uniform grids for quantum reactive scattering
2012 Rampino, Sergio; Laganà, Antonio
A Grid execution model for Computational Chemistry Applications using the GC3Pie framework and AppPot
2012 Costantini, Alessandro; Murri, Riccardo; Maffioletti, Sergio; Rampino, Sergio; Laganà, Antonio
An extension of the grid empowered molecular simulator to quantum reactive scattering
2012 Rampino, Sergio; Faginas Lago, Noelia; Laganà, Antonio; Huarte-Larrañaga, Fermin
General Chemistry on ICT Supports for School Teachers (TFA 2011-2012)
2013 Laganà, Antonio; Rampino, Sergio
Efficient parallel all-electron four-component dirac-kohn-sham program using a distributed matrix approach II
2013 Storchi, Loriano; Rampino, Sergio; Belpassi, Leonardo; Tarantelli, Francesco; Quiney, Harry M.
A grid empowered virtual versus real experiment for the barrierless Li + FH → LiF + H reaction
2014 Laganà, Antonio; Rampino, Sergio
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model
2014 Rossi, Elda; Evangelisti, Stefano; Laganà, Antonio; Monari, Antonio; Rampino, Sergio; Verdicchio, Marco; Baldridge, Kim K.; Bendazzoli, Gian Luigi; Borini, Stefano; Cimiraglia, Renzo; Angeli, Celestino; Kallay, Peter; Lüthi, Hans P.; Ruud, Kenneth; Sanchez-Marin, José; Scemama, Anthony; Szalay, Peter G.; Tajti, Attila
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