| On the suitability of the ILJ function to match different formulations of the electrostatic potential for water-water interactions N Faginas Lago, F Huarte Larrañaga, M Albertí The European Physical Journal D 55, 75-85, 2009 | 84 | 2009 |
| COMPCHEM: progress towards GEMS a Grid Empowered Molecular Simulator and beyond A Laganà, A Costantini, O Gervasi, NF Lago, C Manuali, S Rampino Journal of Grid Computing 8, 571-586, 2010 | 75 | 2010 |
| Tetrahedral ordering in water: Raman profiles and their temperature dependence M Paolantoni, NF Lago, M Albertí, A Laganà The Journal of Physical Chemistry A 113 (52), 15100-15105, 2009 | 75 | 2009 |
| Competitive solvation of K+ by C6H6 and H2O in the K+-(C6H6)n-(H2O)m (n = 1–4; m = 1–6) aggregates M Albertí, NF Lago The European Physical Journal D 67, 1-12, 2013 | 66* | 2013 |
| 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 | 51 | 2015 |
| 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 | 49 | 2015 |
| 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 | 49 | 2013 |
| Adsorption of hydrogen molecules on carbon nanotubes using quantum chemistry and molecular dynamics N Faginas-Lago, D Yeni, F Huarte, Y Wang, M Alcamí, F Martin The Journal of Physical Chemistry A 120 (32), 6451-6458, 2016 | 48 | 2016 |
| Benzene water interaction: From gaseous dimers to solvated aggregates M Albertí, NF Lago, F Pirani Chemical Physics 399, 232-239, 2012 | 48 | 2012 |
| 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 | 47 | 2013 |
| A portable intermolecular potential for molecular dynamics studies of NMA–NMA and NMA–H2O aggregates M Albertí, NF Lago, A Laganà, F Pirani Physical Chemistry Chemical Physics 13 (18), 8422-8432, 2011 | 47 | 2011 |
| 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 | 46 | 2019 |
| Accurate analytic intermolecular potential for the simulation of Na+ and K+ ion hydration in liquid water N Faginas-Lago, A Lombardi, M Albertí, G Grossi Journal of Molecular Liquids 204, 192-197, 2015 | 45 | 2015 |
| 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 | 40 | 2017 |
| A bond-bond portable approach to intermolecular interactions: simulations for n-methylacetamide and carbon dioxide dimers A Lombardi, N Lago, A Laganà, F Pirani, S Falcinelli Lecture notes in Computer Science (Workshop on Chemistry and Molecular …, 2012 | 40 | 2012 |
| 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 | 39 | 2017 |
| Multi-scale theoretical investigation of molecular hydrogen adsorption over graphene: coronene as a case study MB Yeamin, N Faginas-Lago, M Albertí, IG Cuesta, J Sanchez-Marin, ... RSC Advances 4 (97), 54447-54453, 2014 | 39 | 2014 |
| Ion Size Influence on the Ar Solvation Shells of M+–C6F6 Clusters (M = Na, K, Rb, Cs) M Albertí, NF Lago The Journal of Physical Chemistry A 116 (12), 3094-3102, 2012 | 37 | 2012 |
| An innovative synergistic grid approach to the computational study of protein aggregation mechanisms N Faginas-Lago, M Albertí, A Costantini, A Laganà, A Lombardi, L Pacifici Journal of molecular modeling 20, 1-9, 2014 | 34 | 2014 |
| Nanostructure selectivity for molecular adsorption and separation: the case of graphyne layers YB Apriliyanto, N Faginas Lago, A Lombardi, S Evangelisti, M Bartolomei, ... The Journal of Physical Chemistry C 122 (28), 16195-16208, 2018 | 32 | 2018 |
andrea lombardiUniversità di Perugia, Dipartimento di Chimica, Biologia e Biotecnologie, Via Elce di Sotto 8, 06123Verified email at unipg.it
