M. Noelia Faginas-Lago
M. Noelia Faginas-Lago
Dipartimento di Chimica, Biologia e Biotecnologie UniversitÓ di Perugia
Verified email at unipg.it
Title
Cited by
Cited by
Year
On the suitability of the ILJ function to match different formulations of the electrostatic potential for water-water interactions
NF Lago, FH Larra˝aga, M AlbertÝ
The European Physical Journal D 55 (1), 75-85, 2009
772009
COMPCHEM: progress towards GEMS a Grid Empowered Molecular Simulator and beyond
A LaganÓ, A Costantini, O Gervasi, NF Lago, C Manuali, S Rampino
Journal of Grid Computing 8 (4), 571-586, 2010
762010
Tetrahedral ordering in water: Raman profiles and their temperature dependence
M Paolantoni, NF Lago, M AlbertÝ, A LaganÓ
The Journal of Physical Chemistry A 113 (52), 15100-15105, 2009
662009
Competitive solvation of K+ by C 6 H 6 and H 2 O in the K+-(C 6 H 6) n-(H 2 O) m (n= 1–4; m= 1–6) aggregates
M AlbertÝ, NF Lago
The European Physical Journal D 67 (4), 1-12, 2013
55*2013
Benzene water interaction: From gaseous dimers to solvated aggregates
M AlbertÝ, NF Lago, F Pirani
Chemical Physics 399, 232-239, 2012
432012
A portable intermolecular potential for molecular dynamics studies of NMA–NMA and NMA–H2O aggregates
M AlbertÝ, NF Lago, A LaganÓ, F Pirani
Physical Chemistry Chemical Physics 13 (18), 8422-8432, 2011
432011
Dimerization of methanimine and its charged species in the atmosphere of Titan and interstellar/cometary ice analogs
D Skouteris, N Balucani, N Faginas-Lago, S Falcinelli, M Rosi
Astronomy & Astrophysics 584, A76, 2015
402015
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
402013
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
402013
Adsorption of hydrogen molecules on carbon nanotubes using quantum chemistry and molecular dynamics
N Faginas-Lago, D Yeni, F Huarte, Y Wang, M AlcamÝ, F Martin
The Journal of Physical Chemistry A 120 (32), 6451-6458, 2016
362016
Accurate analytic intermolecular potential for the simulation of Na+ and K+ ion hydration in liquid water
N Faginas-Lago, A Lombardi, M AlbertÝ, G Grossi
Journal of Molecular Liquids 204, 192-197, 2015
362015
A bond-bond portable approach to intermolecular interactions: simulations for n-methylacetamide and carbon dioxide dimers
A Lombardi, N Lago, A LaganÓ, F Pirani, S Falcinelli
Lecture notes in Computer Science (Workshop on Chemistry and Moleculará…, 2012
362012
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
352015
Increasing Radical Character of Large [n]cyclacenes Unveiled by Wave Function Theory
S Battaglia, N Faginas-Lago, D Andrae, S Evangelisti, T Leininger
The Journal of Physical Chemistry A 121 (19), 3746-3756, 2017
332017
Ion Size Influence on the Ar Solvation Shells of M+–C6F6 Clusters (M = Na, K, Rb, Cs)
M AlbertÝ, NF Lago
The Journal of Physical Chemistry A 116 (12), 3094-3102, 2012
312012
Multi-scale theoretical investigation of molecular hydrogen adsorption over graphene: coronene as a case study
MB Yeamin, N Faginas-Lago, M AlbertÝ, IG Cuesta, J Sanchez-Marin, ...
RSC Advances 4 (97), 54447-54453, 2014
302014
Silicon-bearing molecules in the shock L1157-B1: first detection of SiS around a Sun-like protostar
L Podio, C Codella, B Lefloch, N Balucani, C Ceccarelli, R Bachiller, ...
Monthly Notices of the Royal Astronomical Society: Letters 470 (1), L16-L20, 2017
282017
An innovative synergistic grid approach to the computational study of protein aggregation mechanisms
N Faginas-Lago, M AlbertÝ, A Costantini, A LaganÓ, A Lombardi, L Pacifici
Journal of molecular modeling 20 (7), 1-9, 2014
282014
Interstellar dimethyl ether gas-phase formation: a quantum chemistry and kinetics study
D Skouteris, N Balucani, C Ceccarelli, N Faginas Lago, C Codella, ...
Monthly Notices of the Royal Astronomical Society 482 (3), 3567-3575, 2019
272019
An extension of the grid empowered molecular simulator to quantum reactive scattering
S Rampino, N Faginas Lago, A LaganÓ, F Huarte‐Larra˝aga
Journal of computational chemistry 33 (6), 708-714, 2012
272012
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