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 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 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 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 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. 2004 FAGINAS LAGO, Maria Noelia; Lagana', Antonio
A Computational Study of the Reaction Between N(2D) and Simple Aromatic Hydrocarbons 2023 Rosi, Marzio; Balucani, Nadia; Casavecchia, Piergiorgio; Faginas-Lago, Noelia; Mancini, Luca; Skouteris, Dimitrios; Vanuzzo, Gianmarco
A computational study of the reaction cyanoacetylene and cyano radical leading to 2-butynedinitrile and hydrogen radical 2020 Valenca Ferreira de Aragao, E.; Faginas-Lago, N.; Rosi, M.; Mancini, L.; Balucani, N.; Skouteris, D.
A force field for acetone: the transition from small clusters to liquid phase investigated by molecular dynamics simulations 2016 FAGINAS LAGO, Maria Noelia; Albertí, M.; Lombardi, Andrea; Pirani, Fernando
A grid implementation of direct quantum calculations of rate coefficients 2009 A., Costantini; FAGINAS LAGO, Maria Noelia; Lagana', Antonio; F., Huarte Larrañaga
A Grid Implementation of Direct Semiclassical Calculations of Rate Coefficients 2009 Costantini, Alessandro; FAGINAS LAGO, Maria Noelia; Lagana', Antonio; Huarte Larrañaga, Fermín
A High-Level Ab Initio Study of the N2 + N2 Reaction Channel 2013 Pacifici, Leonardo; Marco, Verdicchio; FAGINAS LAGO, Maria Noelia; Lombardi, Andrea; Alessandro, Costantini
A Minimal Model of Potential Energy Surface for the CO2 – CO System 2021 Caglioti, C.; FAGINAS LAGO, Maria Noelia; Lombardi, A.; Palazzetti, F.
A New Method for Binary Classification of Proteins with Machine Learning 2021 Perri, D.; Simonetti, M.; Lombardi, A.; Faginas-Lago, N.; Gervasi, O.
A non orthogonal coordinate approach to atom diatom parallel reactive scattering calculations 2003 Lagana', Antonio; Crocchianti, Stefano; FAGINAS LAGO, Maria Noelia; Pacifici, Leonardo; Ferraro, G.
A novel intermolecular potential to describe the interaction between the azide anion and carbon nanotubes 2020 Battaglia, S.; Evangelisti, S.; Leininger, T.; Pirani, F.; Faginas-Lago, N.
A portable intermolecular potential for molecular dynamics studies of NMA-NMA and NMA-H2O aggregates 2011 FAGINAS LAGO, Maria Noelia; M., Alberti; Lagana', Antonio; Pirani, Fernando
A semiclassical initial value representation approach to N+ N2 rate coefficient" 2006 FAGINAS LAGO, Maria Noelia; Lagana', Antonio
A simplified myoglobin model for molecular dynamics calculations 2006 F., Filomia; FAGINAS LAGO, Maria Noelia
A Theoretical and Computational Approach to a Semi-classical Model for Electron Spectroscopy Calculations in Collisional Autoionization Processes 2016 Falcinelli, Stefano; Rosi, Marzio; Pirani, Fernando; FAGINAS LAGO, Maria Noelia; Nicoziani, Andrea; Vecchiocattivi, Franco
A Theoretical Investigation of 1-Butanol Unimolecular Decomposition 2015 Pacifici, Leonardo; FAGINAS LAGO, Maria Noelia; Lombardi, Andrea; Balucani, Nadia; Stranges, Domenico; Falcinelli, Stefano; Rosi, Marzio