IRIS - Res&Arch Institutional Research Information System - Research & Archive

FAGINAS LAGO, Maria Noelia
 Distribuzione geografica
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Continente #
NA - Nord America 2.709
EU - Europa 1.931
AS - Asia 767
Continente sconosciuto - Info sul continente non disponibili 8
SA - Sud America 4
AF - Africa 1
Totale 5.420
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Nazione #
US - Stati Uniti d'America 2.681
IE - Irlanda 582
IT - Italia 394
SG - Singapore 349
SE - Svezia 289
UA - Ucraina 183
HK - Hong Kong 163
VN - Vietnam 129
FI - Finlandia 123
RU - Federazione Russa 96
CN - Cina 77
DE - Germania 74
GB - Regno Unito 64
FR - Francia 30
CA - Canada 25
CH - Svizzera 16
BE - Belgio 14
RO - Romania 13
AT - Austria 12
TR - Turchia 11
ES - Italia 9
NL - Olanda 9
EU - Europa 8
KR - Corea 8
UZ - Uzbekistan 7
GR - Grecia 6
ID - Indonesia 5
BD - Bangladesh 4
CZ - Repubblica Ceca 4
IN - India 4
LB - Libano 4
PL - Polonia 4
BG - Bulgaria 3
MX - Messico 3
BR - Brasile 2
HR - Croazia 2
JP - Giappone 2
LT - Lituania 2
PH - Filippine 2
BO - Bolivia 1
CI - Costa d'Avorio 1
EC - Ecuador 1
EE - Estonia 1
GE - Georgia 1
HU - Ungheria 1
PK - Pakistan 1
Totale 5.420
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Città #
Dublin 580
Chandler 451
San Mateo 302
Singapore 274
Santa Clara 173
Boardman 169
Hong Kong 163
Altamura 137
Dong Ket 129
Medford 125
Princeton 124
Wilmington 123
Perugia 120
Lawrence 95
Ann Arbor 93
Andover 89
Jacksonville 84
Des Moines 39
Ashburn 34
Helsinki 34
Norwalk 34
Beijing 26
Saint Petersburg 26
San Paolo di Civitate 26
Los Angeles 23
Redmond 23
Ottawa 17
New York 16
Woodbridge 16
Moscow 14
Brussels 13
Houston 13
Timisoara 13
Falls Church 12
Izmir 11
Dallas 10
Foligno 10
Seoul 8
Shanghai 8
Toronto 8
Città Di Castello 7
Lappeenranta 7
Madrid 7
Aubiere 6
Buffalo 6
Milan 6
Bologna 5
Redwood City 5
Den Haag 4
Falkenstein 4
Khulna 4
Kiev 4
Lausanne 4
London 4
Mumbai 4
Romola 4
Salerno 4
Amsterdam 3
Anghiari 3
Chicago 3
Jakarta 3
Pisa 3
Rome 3
Vienna 3
Auburn Hills 2
Bolzano 2
Collazzone 2
Coventry 2
Curitiba 2
Frankfurt Am Main 2
Laurel 2
Lecce 2
Nanjing 2
Naples 2
Nuremberg 2
Palomonte 2
Parsippany 2
Reggio Emilia 2
Saint-Martin-d'Hères 2
San Diego 2
San Severo 2
Simi Valley 2
Sofia 2
Somerville 2
Tokyo 2
Turin 2
Abidjan 1
Barcelona 1
Brno 1
Changzhi 1
Comiso 1
Denver 1
Ergolding 1
Fairfield 1
Forest City 1
Frankfurt am Main 1
Fremont 1
Frosinone 1
Genoa 1
Grenoble 1
Totale 3.829
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Nome #
Distributed and Collaborative Learning Objects Repositories on Grid Networks 128
Acetone clusters molecular dynamics using a semiempirical intermolecular potential 103
Integrating PUFA measurements and statystical analysis 90
Accurate analytic intermolecular potential for the simulation of Na+ and K+ ion hydration in liquid water 90
Grid calculation tools for massive applications of collision dynamics simulations: Carbon dioxide energy transfer 88
A Theoretical and Computational Approach to a Semi-classical Model for Electron Spectroscopy Calculations in Collisional Autoionization Processes 87
Multi-scale theoretical investigation of molecular hydrogen adsorption over graphene: coronene as a case study 82
A Bond-Bond Portable Approach to Intermolecular Interactions: Simulations for N-methylacetamide and Carbon Dioxide Dimers 73
Foreword 70
Energy transfer upon collision of selectively excited CO2 molecules: State-to-state cross sections and probabilities for modeling of atmospheres and gaseous flows 69
An Extension of the Grid Empowered Molecular Simulator to Quantum Reactive Scattering 67
Direct calculation of the rate coefficients on the grid: Exact quantum versus semiclassical results for N + N2 66
Ar Solvation Shells in (K+)-HFBz: From Cluster Rearrangement to Solvation Dynamics 66
DETERMINAZIONE DEGLI ACIDI GRASSI POLINSATURI NEL PLASMA COME INDICE DEL RISCHIO/PROTEZIONE DELLA MALATTIA ARTERIOSCLEROTICA 65
Aqueous N-methylacetamide: New analytic potentials and a molecular dynamics study 65
Thermal rate coefficients for the N + N2 reaction: Quasiclassical, semiclassical and quantum calculations 64
Quantum and semiclassical approaches to evaluate rate coefficients: Implementation of final state projections 63
Calcoli di struttura elettronica e RRKM sulla reazione CH3OH2+ + CH3OH 63
A non orthogonal coordinate approach to atom diatom parallel reactive scattering calculations 61
A Grid Implementation of Direct Semiclassical Calculations of Rate Coefficients 61
Benzene water interaction: From gaseous dimers to solvated aggregates 60
Nanostructure Selectivity for Molecular Adsorption and Separation: The Case of Graphyne Layers 60
Interstellar dimethyl ether gas-phase formation: A quantum chemistry and kinetics study 60
A computational study of the reaction cyanoacetylene and cyano radical leading to 2-butynedinitrile and hydrogen radical 60
Electronic Structure and Kinetics Calculations for the Si+SH Reaction, a Possible Route of SiS Formation in Star-Forming Regions 59
Similarities between the Cl--C6H6 and the K+-C6F6 aggregates 58
Competitive solvation of K+ by C6H6 and H2O in the K+-(C6H6)n-(H2O)m (n=1-4; m= 1-6) aggregates. 58
Semiclassical initial value representation versus exact quantum reaction probabilities. 58
COMPCHEM: progress towards GEMS a Grid Empowered Molecular Simulator and beyond 57
Modeling combustions: The ab initio treatment of the O(3P) + CH3OH reaction 57
A Theoretical Investigation of 1-Butanol Unimolecular Decomposition 55
A comparison of semiclassical IVR and exact quantum collinear atom diatom transition probabilities for mixed reactive and non reactive regimes 54
Modeling the Intermolecular Interactions and Characterization of the Dynamics of Collisional Autoionization Processes 54
Ion-Water Cluster Molecular Dynamics Using a Semiempirical Intermolecular Potential 54
A High-Level Ab Initio Study of the N2 + N2 Reaction Channel 54
Distributed Gaussian orbitals for molecular calculations: application to simple systems 54
Tetrahedral ordering in water: Raman profiles and their temperature dependence 53
Adsorption of Hydrogen Molecules on Carbon Nanotubes Using Quantum Chemistry and Molecular Dynamics 52
Acetone-water mixtures: Molecular dynamics using a semiempirical intermolecular potential 52
Quantum versus semiclassic initial value representation probabilities for non reactive systems 50
Potential models for the simulation of methane adsorption on graphene: Development and CCSD(T) benchmarks 50
Molecular Simulations of CO/N /H O Gaseous Mixture Separation in Graphtriyne Membrane 50
A novel intermolecular potential to describe the interaction between the azide anion and carbon nanotubes 50
A portable intermolecular potential for molecular dynamics studies of NMA-NMA and NMA-H2O aggregates 49
A comparison of semiclassical IVR and exact quantum collinear atom diatom transition probabilities for mixed reactive and non reactive regimes 49
A Theoretical Study on the Relevance of Protonated and Ionized Species of Methanimine and Methanol in Astrochemistry 49
Thermal rate coefficients in collinear versus bent transition state reactions: the N + N2 case study. 48
Carbon oxides in gas flows and earth and planetary atmospheres: State-to-state simulations of energy transfer and dissociation reactions 48
Reaction probabilities: Exact quantum and semiclassicL INITIAL VALUE REPRESENTATION (SC-IVR) CALCULATIONS 47
Design and implementation of a Grid application for direct calculations of reactive rates 47
A comparison of semiclassical IVR and exact quantum collinear atom diatom transition probabilities for mixed reactive and non reactive regimes. 47
A semiclassical initial value representation approach to N+ N2 rate coefficient" 46
Binary Classification of Proteins by a Machine Learning Approach 46
A Minimal Model of Potential Energy Surface for the CO2 – CO System 46
From Computer Assisted to Grid Empowered Teaching and Learning Activities in Higher Chemistry Education”, 45
The Invariance Approach to Structure and Dynamics: Classical Hyperspherical Coordinates 45
An innovative synergistic Grid approach to the computational study of protein aggregation mechanisms 45
A comparison of semiclassical IVR and exact quantum collinear atom diatom transition probabilities for mixed reactive and non reactive regimes 44
Dimerization of methanimine and its charged species in the atmosphere of Titan and interstellar/cometary ice analogs 44
Gas Adsorption on Graphtriyne Membrane: Impact of the Induction Interaction Term on the Computational Cost 44
N 3− azide anion confined inside finite-size carbon nanotubes 43
Quantum vs Semiclassical Dynamics Approaches from Highly Symmetric to Asymmetric Reactions 42
A force field for acetone: the transition from small clusters to liquid phase investigated by molecular dynamics simulations 42
Long-Range Complex in the HC3 N + CN Potential Energy Surface: Ab Initio Calculations and Intermolecular Potential 42
Modeling the Interaction of Carbon Monoxide with Flexible Graphene: From Coupled Cluster Calculations to Molecular-Dynamics Simulations 41
”Implementation of a Semiclassical Initial Value Representation code on the Grid to calculate rate coefficients of atom diatom reaction 40
Silicon-bearing molecules in the shock L1157-B1: first detection of SiS around a Sun-like protostar 40
A Theoretical Study on trans-Resveratrol - Cu(I) Complex 39
Ion Size Influence on the Ar Solvation Shells of M+ −C6F6 Clusters (M = Na, K, Rb, Cs) 39
QCT calculations for CO2-CO2 39
Electronic structure and RRKM calculations on the reaction CH3OH2+ + CH3OH 39
Carbon Capture and Separation from CO2/N2/H2O Gaseous Mixtures in Bilayer Graphtriyne: A Molecular Dynamics Study 39
Coding Cross Sections of an Electron Charge Transfer Process 38
Full dimensional quantum versus semiclassical reactivity for the bent transition state reaction N + N2. 38
On the suitability of the ILJ function to match different formulations of the electrostatic potential for water-water interactions 38
Reactions O(3P, 1D) + HCCCN(X1Σ+) (Cyanoacetylene): Crossed-Beam and Theoretical Studies and Implications for the Chemistry of Extraterrestrial Environments 36
On the semiclassical initial value calculation of thermal rate coefficients for the N + N2 reaction. 36
A theoretical investigation of the reaction H+SIS2and Implications for the Chemistry of Silicon in the Interstellar Medium 36
A grid implementation of direct quantum calculations of rate coefficients 36
An Experimental and Theoretical Investigation of 1-Butanol Pyrolysis 36
Increasing Radical Character of Large [n]cyclacenes Unveiled by Wave Function Theory 35
A theoretical study on cyclacenes: Analytical tight-binding approach 35
Structural order in water: comparison between the spectral analysis of Raman data and molecular dynamics results 34
Molecular dynamics of CH4/N2 mixtures on a flexible graphene layer: Adsorption and selectivity case study 34
Flexibility in the Graphene Sheet: The Influence on Gas Adsorption from Molecular Dynamics Studies 34
Thermal rate coefficients for the N + N2 reaction: Quasiclassical, Quantum and Semiclassical calculations 33
Collisional energy exchange in CO2–N2 gaseous mixtures 33
Tuning the magnetic properties of beryllium chains 33
Modeling of Energy Transfer From Vibrationally Excited CO2 Molecules: Cross Sections and Probabilities for Kinetic Modeling of Atmospheres, Flows and Plasmas 33
Confinement of CO 2 Inside (20,0) Single-Walled Carbon Nanotubes 32
A simplified myoglobin model for molecular dynamics calculations 32
Possible scenarios for SiS formation in the interstellar medium: Electronic structure calculations of the potential energy surfaces for the reactions of the SiH radical with atomic sulphur and S2 32
Full dimensional quantum versus semiclassical reactivity for the bent transition state reaction N + N2 31
Foreword 31
Confinement of the pentanitrogen cation inside carbon nanotubes 31
Nitrogen gas on graphene: Pairwise interaction potentials 31
Two-dimensional diamine-linked covalent organic frameworks for CO2/N2capture and separation: Theoretical modeling and simulations 31
MOLECULAR DYNAMICS OF NMA–NMA AND NMA–H2O AGGREGAGATES USING A PORTABLE INTERMOLECULAR POTENTIAL 30
Initial value semiclassical approaches to reactive and non reactive transition probabilities 30
Theoretical investigation of possible formation routes of interstellar SiS 30
Totale 5.003
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Categoria #
all - tutte 28.073
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 28.073
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020171 0 0 0 0 0 1 26 16 60 43 6 19
2020/2021711 4 26 26 33 240 36 34 9 54 66 36 147
2021/20221.129 30 216 38 76 44 13 18 336 21 57 135 145
2022/20231.810 134 335 37 113 121 177 6 67 719 5 76 20
2023/2024651 43 81 44 14 12 10 147 8 57 36 108 91
2024/2025722 17 181 168 38 254 64 0 0 0 0 0 0
Totale 5.829