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ORCIDNoelia Faginas Lago
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2020 – today
- 2024
[c49]Luca Mancini
, Emília Valença Ferreira de Aragão, Fernando Pirani, Marzio Rosi, Noelia Faginas Lago, Daniela Ascenzi:
The rmHe+. + rmCH3rmCN Charge-Exchange Reaction: A Combined Semi-empirical and Quantum Chemical Study. ICCSA (4) 2024: 39-54- [c48]Luca Mancini, Andrea Lombardi, Fernando Pirani, Leonardo Pacifici, Marzio Rosi, Noelia Faginas Lago:
A Computational Analysis of the DMSO-Water Interaction: Toward the Implementation of an Accurate Force Field. ICCSA (Workshops 9) 2024: 361-374 - [c47]Nuria Anguita-Ortiz, Andrea Lombardi, Noelia Faginas Lago, Juan J. Nogueira:
Insights into Ion Conduction Mechanisms Through the ORF3a Channel by Computational Modelling. ICCSA (Workshops 9) 2024: 402-414 - [e11]Osvaldo Gervasi, Beniamino Murgante, Chiara Garau, David Taniar, Ana Maria A. C. Rocha, Noelia Faginas Lago:
Computational Science and Its Applications - ICCSA 2024 - 24th International Conference, Hanoi, Vietnam, July 1-4, 2024, Proceedings, Part I. Lecture Notes in Computer Science 14813, Springer 2024, ISBN 978-3-031-64604-1 [contents] - [e10]Osvaldo Gervasi, Beniamino Murgante, Chiara Garau, David Taniar, Ana Maria A. C. Rocha, Noelia Faginas Lago:
Computational Science and Its Applications - ICCSA 2024 - 24th International Conference, Hanoi, Vietnam, July 1-4, 2024, Proceedings, Part II. Lecture Notes in Computer Science 14814, Springer 2024, ISBN 978-3-031-64607-2 [contents] - [e9]Osvaldo Gervasi, Beniamino Murgante, Chiara Garau, David Taniar, Ana Maria A. C. Rocha, Noelia Faginas Lago:
Computational Science and Its Applications - ICCSA 2024 Workshops - Hanoi, Vietnam, July 1-4, 2024, Proceedings, Part I. Lecture Notes in Computer Science 14815, Springer 2024, ISBN 978-3-031-65153-3 [contents] - [e8]Osvaldo Gervasi, Beniamino Murgante, Chiara Garau, David Taniar, Ana Maria A. C. Rocha, Noelia Faginas Lago:
Computational Science and Its Applications - ICCSA 2024 Workshops - Hanoi, Vietnam, July 1-4, 2024, Proceedings, Part II. Lecture Notes in Computer Science 14816, Springer 2024, ISBN 978-3-031-65222-6 [contents] - [e7]Osvaldo Gervasi, Beniamino Murgante, Chiara Garau, David Taniar, Ana Maria A. C. Rocha, Noelia Faginas Lago:
Computational Science and Its Applications - ICCSA 2024 Workshops - Hanoi, Vietnam, July 1-4, 2024, Proceedings, Part III. Lecture Notes in Computer Science 14817, Springer 2024, ISBN 978-3-031-65237-0 [contents] - [e6]Osvaldo Gervasi, Beniamino Murgante, Chiara Garau, David Taniar, Ana Maria A. C. Rocha, Noelia Faginas Lago:
Computational Science and Its Applications - ICCSA 2024 Workshops - Hanoi, Vietnam, July 1-4, 2024, Proceedings, Part V. Lecture Notes in Computer Science 14819, Springer 2024, ISBN 978-3-031-65281-3 [contents] - [e5]Osvaldo Gervasi, Beniamino Murgante, Chiara Garau, David Taniar, Ana Maria A. C. Rocha, Noelia Faginas Lago:
Computational Science and Its Applications - ICCSA 2024 Workshops - Hanoi, Vietnam, July 1-4, 2024, Proceedings, Part VI. Lecture Notes in Computer Science 14820, Springer 2024, ISBN 978-3-031-65284-4 [contents] - [e4]Osvaldo Gervasi, Beniamino Murgante, Chiara Garau, David Taniar, Ana Maria A. C. Rocha, Noelia Faginas Lago:
Computational Science and Its Applications - ICCSA 2024 Workshops - Hanoi, Vietnam, July 1-4, 2024, Proceedings, Part VIII. Lecture Notes in Computer Science 14822, Springer 2024, ISBN 978-3-031-65317-9 [contents] - [e3]Osvaldo Gervasi, Beniamino Murgante, Chiara Garau, David Taniar, Ana Maria A. C. Rocha, Noelia Faginas Lago:
Computational Science and Its Applications - ICCSA 2024 Workshops - Hanoi, Vietnam, July 1-4, 2024, Proceedings, Part IX. Lecture Notes in Computer Science 14823, Springer 2024, ISBN 978-3-031-65328-5 [contents] - [e2]Osvaldo Gervasi, Beniamino Murgante, Chiara Garau, David Taniar, Ana Maria A. C. Rocha, Noelia Faginas Lago:
Computational Science and Its Applications - ICCSA 2024 Workshops - Hanoi, Vietnam, July 1-4, 2024, Proceedings, Part X. Lecture Notes in Computer Science 14824, Springer 2024, ISBN 978-3-031-65331-5 [contents] - [e1]Osvaldo Gervasi, Beniamino Murgante, Chiara Garau, David Taniar, Ana Maria A. C. Rocha, Noelia Faginas Lago:
Computational Science and Its Applications - ICCSA 2024 Workshops - Hanoi, Vietnam, July 1-4, 2024, Proceedings, Part XI. Lecture Notes in Computer Science 14825, Springer 2024, ISBN 978-3-031-65342-1 [contents] - 2023
- [c46]Andrea Lombardi, Noelia Faginas Lago, Leonardo Pacifici:
Protein Tetrahedral Networks by Invariant Shape Coordinates. ICCSA (Workshops 8) 2023: 121-132 - [c45]Noelia Faginas Lago, Emília Valença Ferreira de Aragão, Luca Mancini, Marzio Rosi, Daniela Ascenzi, Fernando Pirani:
Coding Cross Sections of an Electron Charge Transfer Process: Analysis of Different Cuts for the Entrance and Exit Potentials. ICCSA (Workshops 8) 2023: 162-175 - [c44]Marzio Rosi, Nadia Balucani, Piergiorgio Casavecchia, Noelia Faginas Lago, Luca Mancini, Dimitrios Skouteris, Gianmarco Vanuzzo:
A Computational Study of the Reaction Between N(2D) and Simple Aromatic Hydrocarbons. ICCSA (Workshops 2) 2023: 718-734 - 2022
- [c43]Concetta Caglioti, Antonella De Luca, Chiara Pennetta, Lorenzo Monarca, Francesco Ragonese, Paola Sabbatini, Noelia Faginas Lago, Andrea Lombardi, Federico Palazzetti, Bernard Fioretti:
A Theoretical Study on trans-Resveratrol - Cu(I) Complex. ICCSA (Workshops 6) 2022: 237-248 - [c42]Leonardo Pacifici, Ribi Akbar, Andrea Lombardi, Giuseppe Vitillaro, Noelia Faginas Lago:
The Assembly of a Computing Platform for Studying Protein Inhibitors Against COVID-19 Replication. ICCSA (Workshops 6) 2022: 264-274 - [c41]Noelia Faginas Lago, Andrea Lombardi, Yusuf Bramastya Apriliyanto, Leonardo Pacifici:
Confinement of CO2 Inside (20, 0) Single-Walled Carbon Nanotubes. ICCSA (Workshops 6) 2022: 275-289 - [c40]Emília Valença Ferreira de Aragão, Luca Mancini, Xiao He, Noelia Faginas Lago, Marzio Rosi, Daniela Ascenzi, Fernando Pirani:
Coding Cross Sections of an Electron Charge Transfer Process. ICCSA (Workshops 6) 2022: 319-333 - [c39]Andrea Lombardi, Noelia Faginas Lago, Leonardo Pacifici:
Protein Networks by Invariant Shape Coordinates and Deformation Indexes. ICCSA (Workshops 6) 2022: 348-359 - 2021
- [c38]Concetta Caglioti, Noelia Faginas Lago, Andrea Lombardi, Federico Palazzetti:
A Minimal Model of Potential Energy Surface for the CO2 - CO System. ICCSA (10) 2021: 351-362 - [c37]Andrea Lombardi, Noelia Faginas Lago:
Classification of Biomolecules by Invariant Shape Coordinates and Deformation Indexes. ICCSA (10) 2021: 363-374 - [c36]Damiano Perri, Marco Simonetti, Andrea Lombardi, Noelia Faginas Lago, Osvaldo Gervasi:
A New Method for Binary Classification of Proteins with Machine Learning. ICCSA (10) 2021: 388-397 - [c35]Emília Valença Ferreira de Aragão, Luca Mancini, Noelia Faginas Lago, Marzio Rosi, Nadia Balucani, Fernando Pirani:
Long-Range Complex in the HC3N + CN Potential Energy Surface: Ab Initio Calculations and Intermolecular Potential. ICCSA (10) 2021: 413-425 - [c34]Noelia Faginas Lago, Yusuf Bramastya Apriliyanto, Andrea Lombardi:
Intermolecular Forces for the Interaction of H2O-Graphtriyne Membrane: Contribution of Induction Effects. ICCSA (10) 2021: 426-438 - [i2]Damiano Perri, Marco Simonetti, Andrea Lombardi, Noelia Faginas Lago, Osvaldo Gervasi:
Binary classification of proteins by a Machine Learning approach. CoRR abs/2111.01975 (2021) - [i1]Damiano Perri, Marco Simonetti, Andrea Lombardi, Noelia Faginas Lago, Osvaldo Gervasi:
A new method for binary classification of proteins with Machine Learning. CoRR abs/2111.01976 (2021) - 2020
- [c33]Noelia Faginas Lago, Yusuf Bramastya Apriliyanto, Andrea Lombardi:
Carbon Capture and Separation from CO2/N2/H2O Gaseous Mixtures in Bilayer Graphtriyne: A Molecular Dynamics Study. ICCSA (7) 2020: 489-501 - [c32]Emília Valença Ferreira de Aragão, Noelia Faginas Lago, Yusuf Bramastya Apriliyanto, Andrea Lombardi:
Gas Adsorption on Graphtriyne Membrane: Impact of the Induction Interaction Term on the Computational Cost. ICCSA (7) 2020: 513-525 - [c31]Andrea Lombardi, Noelia Faginas Lago:
Classification of Shapes and Deformations of Large Systems by Invariant Coordinates. ICCSA (7) 2020: 538-548 - [c30]Damiano Perri, Marco Simonetti, Andrea Lombardi, Noelia Faginas Lago, Osvaldo Gervasi:
Binary Classification of Proteins by a Machine Learning Approach. ICCSA (7) 2020: 549-558 - [c29]Emília Valença Ferreira de Aragão, Noelia Faginas Lago, Marzio Rosi, Luca Mancini, Nadia Balucani, Dimitrios Skouteris:
A Computational Study of the Reaction Cyanoacetylene and Cyano Radical Leading to 2-Butynedinitrile and Hydrogen Radical. ICCSA (3) 2020: 707-716
2010 – 2019
- 2019
- [c28]Marzio Rosi, Dimitrios Skouteris, Nadia Balucani, Luca Mancini, Noelia Faginas Lago, Linda Podio, Claudio Codella, Bertrand Lefloch, Cecilia Ceccarelli:
Electronic Structure and Kinetics Calculations for the Si+SH Reaction, a Possible Route of SiS Formation in Star-Forming Regions. ICCSA (3) 2019: 306-315 - [c27]Noelia Faginas Lago, Yusuf Bramastya Apriliyanto, Andrea Lombardi:
Molecular Simulations of CO _2 /N _2 /H _2 O Gaseous Mixture Separation in Graphtriyne Membrane. ICCSA (6) 2019: 374-387 - [c26]Andrea Lombardi, Noelia Faginas Lago, Vincenzo Aquilanti:
The Invariance Approach to Structure and Dynamics: Classical Hyperspherical Coordinates. ICCSA (6) 2019: 428-438 - 2018
- [c25]Jelle Vekeman, Noelia Faginas Lago, Inmaculada García Cuesta, José Sánchez-Marín, Alfredo M. J. Sánchez De Merás:
Nitrogen Gas on Graphene: Pairwise Interaction Potentials. ICCSA (5) 2018: 563-578 - [c24]Stefano Battaglia, Stefano Evangelisti, Thierry Leininger, Noelia Faginas Lago:
Confinement of the Pentanitrogen Cation Inside Carbon Nanotubes. ICCSA (5) 2018: 579-592 - [c23]Patrícia R. P. Barreto, Alessandra F. Albernaz, Vincenzo Aquilanti, Noelia Faginas Lago, Gaia Grossi, Andrea Lombardi, Federico Palazzetti, Fernando Pirani:
Potential Energy Surface for the Interaction of Helium with the Chiral Molecule Propylene Oxide. ICCSA (5) 2018: 593-604 - [c22]Dimitrios Skouteris, Marzio Rosi, Nadia Balucani, Luca Mancini, Noelia Faginas Lago, Linda Podio, Claudio Codella, Bertrand Lefloch, Cecilia Ceccarelli:
A Theoretical Investigation of the Reaction H+SiS2 and Implications for the Chemistry of Silicon in the Interstellar Medium. ICCSA (2) 2018: 719-729 - 2017
- [c21]Noelia Faginas Lago, Margarita Albertí, Andrea Lombardi, Federico Palazzetti:
Acetone-Water Mixtures: Molecular Dynamics Using a Semiempirical Intermolecular Potential. ICCSA (3) 2017: 3-13 - 2016
- [c20]Leonardo Pacifici, Francesco Talotta, Nadia Balucani, Noelia Faginas Lago, Antonio Laganà:
Modeling Combustions: The ab initio Treatment of the O( ^3 P) + CH _3 OH Reaction. ICCSA (1) 2016: 71-83 - [c19]Noelia Faginas Lago, Margarita Albertí, Andrea Lombardi:
Acetone Clusters Molecular Dynamics Using a Semiempirical Intermolecular Potential. ICCSA (1) 2016: 129-140 - [c18]Andrea Lombardi, Noelia Faginas Lago, Gaia Grossi, Federico Palazzetti, Vincenzo Aquilanti:
Collisional Energy Exchange in CO _2 -N _2 Gaseous Mixtures. ICCSA (1) 2016: 246-257 - [c17]Stefano Falcinelli, Marzio Rosi, Fernando Pirani, Noelia Faginas Lago, Andrea Nicoziani, Franco Vecchiocattivi:
A Theoretical and Computational Approach to a Semi-classical Model for Electron Spectroscopy Calculations in Collisional Autoionization Processes. ICCSA (1) 2016: 258-272 - [c16]Marzio Rosi, Stefano Falcinelli, Nadia Balucani, Noelia Faginas Lago, Cecilia Ceccarelli, Dimitrios Skouteris:
A Theoretical Study on the Relevance of Protonated and Ionized Species of Methanimine and Methanol in Astrochemistry. ICCSA (1) 2016: 296-308 - 2015
- [c15]Noelia Faginas Lago, Margarita Albertí, Antonio Laganà, Andrea Lombardi:
Ion-Water Cluster Molecular Dynamics Using a Semiempirical Intermolecular Potential. ICCSA (2) 2015: 355-370 - [c14]Leonardo Pacifici, Noelia Faginas Lago, Andrea Lombardi, Nadia Balucani, Domenico Stranges, Stefano Falcinelli, Marzio Rosi:
A Theoretical Investigation of 1-Butanol Unimolecular Decomposition. ICCSA (2) 2015: 384-393 - 2014
- [c13]Noelia Faginas Lago, Margarita Albertí, Antonio Laganà, Andrea Lombardi, Leonardo Pacifici, Alessandro Costantini:
The Molecular Stirrer Catalytic Effect in Methane Ice Formation. ICCSA (1) 2014: 585-600 - [c12]Andrea Lombardi, Noelia Faginas Lago, Antonio Laganà:
Grid Calculation Tools for Massive Applications of Collision Dynamics Simulations: Carbon Dioxide Energy Transfer. ICCSA (1) 2014: 627-639 - 2013
- [j4]Leonardo Pacifici, Marco Verdicchio, Noelia Faginas Lago, Andrea Lombardi, Alessandro Costantini:
A high-level ab initio study of the N2 + N2 reaction channel. J. Comput. Chem. 34(31): 2668-2676 (2013) - [c11]Noelia Faginas Lago, Margarita Albertí, Antonio Laganà, Andrea Lombardi:
Water (H2O) m or Benzene (C6H6) n Aggregates to Solvate the K + ? ICCSA (1) 2013: 1-15 - [c10]Andrea Lombardi, Antonio Laganà, Fernando Pirani, Federico Palazzetti, Noelia Faginas Lago:
Carbon Oxides in Gas Flows and Earth and Planetary Atmospheres: State-to-State Simulations of Energy Transfer and Dissociation Reactions. ICCSA (2) 2013: 17-31 - [c9]Stefano Falcinelli, Marzio Rosi, Pietro Candori, Franco Vecchiocattivi, Alessio Bartocci, Andrea Lombardi, Noelia Faginas Lago, Fernando Pirani:
Modeling the Intermolecular Interactions and Characterization of the Dynamics of Collisional Autoionization Processes. ICCSA (1) 2013: 69-83 - 2012
- [j3]Sergio Rampino, Noelia Faginas Lago, Antonio Laganà, Fermín Huarte-Larrañaga:
An extension of the grid empowered molecular simulator to quantum reactive scattering. J. Comput. Chem. 33(6): 708-714 (2012) - [c8]Andrea Lombardi, Noelia Faginas Lago, Antonio Laganà, Fernando Pirani, Stefano Falcinelli:
A Bond-Bond Portable Approach to Intermolecular Interactions: Simulations for N-methylacetamide and Carbon Dioxide Dimers. ICCSA (1) 2012: 387-400 - 2010
- [j2]Antonio Laganà, Alessandro Costantini, Osvaldo Gervasi, Noelia Faginas Lago, Carlo Manuali, Sergio Rampino:
COMPCHEM: Progress Towards GEMS a Grid Empowered Molecular Simulator and Beyond. J. Grid Comput. 8(4): 571-586 (2010) - [c7]Simonetta Pallottelli, Sergio Tasso, Nicola Pannacci, Alessandro Costantini, Noelia Faginas Lago:
Distributed and Collaborative Learning Objects Repositories on Grid Networks. ICCSA (4) 2010: 29-40
2000 – 2009
- 2009
- [c6]Alessandro Costantini, Noelia Faginas Lago, Antonio Laganà, Fermín Huarte-Larrañaga:
A Grid Implementation of Direct Semiclassical Calculations of Rate Coefficients. ICCSA (2) 2009: 93-103 - [c5]Alessandro Costantini, Noelia Faginas Lago, Antonio Laganà, Fermín Huarte-Larrañaga:
A Grid Implementation of Direct Quantum Calculations of Rate Coefficients. ICCSA (2) 2009: 104-114 - 2007
- [c4]Noelia Faginas Lago, Antonio Laganà, Fermín Huarte-Larrañaga:
Quantum vs Semiclassical Dynamics Approaches from highly symmetric to asymmetric reactions. ICCSA Workshops 2007: 441-443 - 2006
- [c3]Federico Filomia, Noelia Faginas Lago:
A Simplified Myoglobin Model for Molecular Dynamics Calculations. ICCSA (1) 2006: 731-737 - 2005
- [c2]Noelia Faginas Lago, Antonio Laganà, Ernesto Garcia, X. Gimenez:
Thermal Rate Coefficients for the N+N2 Reaction: Quasiclassical, Semiclassical and Quantum Calculations. ICCSA (1) 2005: 1083-1092 - 2004
- [j1]Antonio Laganà, Noelia Faginas Lago:
Foreword. Future Gener. Comput. Syst. 20(5): 701-702 (2004) - 2003
- [c1]Noelia Faginas Lago, Antonio Laganà:
Initial Value Semiclassical Approaches to Reactive and Non Reactive Transition Probabilities. International Conference on Computational Science 2003: 357-365
Coauthor Index
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