FAGINAS LAGO, Maria Noelia

FAGINAS LAGO, Maria Noelia  

DIPARTIMENTO DI CHIMICA, BIOLOGIA E BIOTECNOLOGIE  

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A Bond-Bond Portable Approach to Intermolecular Interactions: Simulations for N-methylacetamide and Carbon Dioxide Dimers 1-gen-2012 Lombardi, Andrea; FAGINAS LAGO, Maria Noelia; Lagana', Antonio; Pirani, Fernando; Falcinelli, Stefano
A comparison of semiclassical IVR and exact quantum collinear atom diatom transition probabilities for mixed reactive and non reactive regimes 1-gen-2005 FAGINAS LAGO, Maria Noelia; Lagana', Antonio
A comparison of semiclassical IVR and exact quantum collinear atom diatom transition probabilities for mixed reactive and non reactive regimes 1-gen-2006 FAGINAS LAGO, Maria Noelia; Lagana', Antonio
A comparison of semiclassical IVR and exact quantum collinear atom diatom transition probabilities for mixed reactive and non reactive regimes 1-gen-2004 FAGINAS LAGO, Maria Noelia; Lagana', Antonio
A comparison of semiclassical IVR and exact quantum collinear atom diatom transition probabilities for mixed reactive and non reactive regimes. 1-gen-2004 FAGINAS LAGO, Maria Noelia; Lagana', Antonio
A non orthogonal coordinate approach to atom diatom parallel reactive scattering calculations 1-gen-2003 Lagana', Antonio; Crocchianti, Stefano; FAGINAS LAGO, Maria Noelia; Pacifici, Leonardo; Ferraro, G.
A semiclassical initial value representation approach to N+ N2 rate coefficient" 1-gen-2006 FAGINAS LAGO, Maria Noelia; Lagana', Antonio
Accurate analytic intermolecular potential for the simulation of Na+ and K+ ion hydration in liquid water 1-gen-2015 FAGINAS LAGO, Maria Noelia; Lombardi, Andrea; M., Albertí; Grossi, Gaia
Acetone clusters molecular dynamics using a semiempirical intermolecular potential 1-gen-2016 FAGINAS LAGO, Maria Noelia; Albertí, Margarita; Lombardi, Andrea
Acetone-water mixtures: Molecular dynamics using a semiempirical intermolecular potential 1-gen-2017 Faginas-Lago, Noelia; Albertí, Margarita; Lombardi, Andrea; Palazzetti, Federico
Adsorption of Hydrogen Molecules on Carbon Nanotubes Using Quantum Chemistry and Molecular Dynamics 1-gen-2016 FAGINAS LAGO, Maria Noelia; Yeni, D; Huarte, F; Wang, Y; Alcamí, M; Martin, F.
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.
Aqueous N-methylacetamide: New analytic potentials and a molecular dynamics study 1-gen-2016 FAGINAS LAGO, Maria Noelia; Lombardi, Andrea; Albertí, Margarita
Ar Solvation Shells in (K+)-HFBz: From Cluster Rearrangement to Solvation Dynamics 1-gen-2011 M., Albertì; FAGINAS LAGO, Maria Noelia; Pirani, Fernando
The Assembly of a Computing Platform for Studying Protein Inhibitors Against COVID-19 Replication 1-gen-2022 Pacifici, L.; Akbar, R.; Lombardi, A.; Vitillaro, Giuseppe.; FAGINAS LAGO, Maria Noelia
Benzene water interaction: From gaseous dimers to solvated aggregates 1-gen-2012 M., Albertí; FAGINAS LAGO, Maria Noelia; Pirani, Fernando
Binary Classification of Proteins by a Machine Learning Approach 1-gen-2020 Perri, D.; Simonetti, M.; Lombardi, A.; Faginas-Lago, N.; Gervasi, O.
A Bond-Bond Portable Approach to Intermolecular Interactions: Simulations for N-methylacetamide and Carbon Dioxide Dimers 1-gen-2012 Lombardi, Andrea; FAGINAS LAGO, Maria Noelia; Lagana', Antonio; Pirani, Fernando; Falcinelli, Stefano
Calcoli di struttura elettronica e RRKM sulla reazione CH3OH2+ + CH3OH 1-gen-2016 Rosi, Marzio; Falcinelli, Stefano; Balucani, Nadia; FAGINAS LAGO, Maria Noelia; Ceccarelli, Cecilia; Skouteris, Dimitrios
Carbon Capture and Separation from CO2/N2/H2O Gaseous Mixtures in Bilayer Graphtriyne: A Molecular Dynamics Study 1-gen-2020 Faginas-Lago, N.; Apriliyanto, Y. B.; Lombardi, A.