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

FAGINAS LAGO, Maria Noelia
 Distribuzione geografica
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Continente #
NA - Nord America 4.133
AS - Asia 2.924
EU - Europa 2.820
SA - Sud America 622
AF - Africa 75
Continente sconosciuto - Info sul continente non disponibili 8
OC - Oceania 2
Totale 10.584
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Nazione #
US - Stati Uniti d'America 3.995
SG - Singapore 1.487
IE - Irlanda 587
BR - Brasile 508
IT - Italia 447
RU - Federazione Russa 412
CN - Cina 340
HK - Hong Kong 339
SE - Svezia 308
VN - Vietnam 279
UA - Ucraina 193
FR - Francia 192
DE - Germania 178
FI - Finlandia 173
GB - Regno Unito 129
CA - Canada 79
IN - India 78
KR - Corea 69
BD - Bangladesh 50
AR - Argentina 46
TR - Turchia 45
MX - Messico 41
ID - Indonesia 35
PL - Polonia 33
IQ - Iraq 27
JP - Giappone 25
AT - Austria 24
NL - Olanda 23
ES - Italia 22
PK - Pakistan 21
ZA - Sudafrica 21
UZ - Uzbekistan 20
EC - Ecuador 18
SA - Arabia Saudita 17
AE - Emirati Arabi Uniti 16
CH - Svizzera 16
BE - Belgio 14
RO - Romania 14
CO - Colombia 13
MY - Malesia 12
PH - Filippine 12
VE - Venezuela 12
KE - Kenya 10
AL - Albania 9
LT - Lituania 9
TN - Tunisia 9
AZ - Azerbaigian 8
EG - Egitto 8
EU - Europa 8
CZ - Repubblica Ceca 7
LB - Libano 7
MA - Marocco 7
BG - Bulgaria 6
CL - Cile 6
GR - Grecia 6
NP - Nepal 6
DO - Repubblica Dominicana 5
ET - Etiopia 5
JO - Giordania 5
PE - Perù 5
UY - Uruguay 5
KZ - Kazakistan 4
NO - Norvegia 4
PY - Paraguay 4
RS - Serbia 4
GE - Georgia 3
JM - Giamaica 3
LY - Libia 3
OM - Oman 3
PA - Panama 3
SY - Repubblica araba siriana 3
BO - Bolivia 2
CD - Congo 2
DK - Danimarca 2
DZ - Algeria 2
HN - Honduras 2
HR - Croazia 2
IL - Israele 2
KG - Kirghizistan 2
PS - Palestinian Territory 2
AM - Armenia 1
AU - Australia 1
BB - Barbados 1
BH - Bahrain 1
BN - Brunei Darussalam 1
BW - Botswana 1
CG - Congo 1
CI - Costa d'Avorio 1
CR - Costa Rica 1
DJ - Gibuti 1
EE - Estonia 1
GF - Guiana Francese 1
GT - Guatemala 1
GY - Guiana 1
HU - Ungheria 1
KH - Cambogia 1
KW - Kuwait 1
LU - Lussemburgo 1
MT - Malta 1
MZ - Mozambico 1
Totale 10.573
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Città #
Singapore 1.030
Dublin 585
Chandler 451
San Jose 425
Hong Kong 338
San Mateo 302
Ashburn 231
Santa Clara 207
Boardman 169
Moscow 142
Altamura 137
Perugia 133
Dong Ket 129
Lauterbourg 126
Medford 125
Princeton 124
Wilmington 123
Lawrence 95
Ann Arbor 93
Andover 89
Jacksonville 85
The Dalles 75
Seoul 68
New York 65
Los Angeles 61
Helsinki 58
Beijing 57
Ho Chi Minh City 50
Munich 48
Des Moines 41
São Paulo 38
Norwalk 34
Hanoi 33
Piscataway 28
Saint Petersburg 26
San Paolo di Civitate 26
Turku 26
Brooklyn 24
Frankfurt am Main 24
Tokyo 24
Redmond 23
Warsaw 22
Ottawa 21
Toronto 21
Denver 20
Belo Horizonte 19
Chicago 18
Dallas 18
Houston 18
Orem 18
Atlanta 17
Chennai 17
Jakarta 17
Montreal 17
Falkenstein 16
Poplar 16
Stockholm 16
Woodbridge 16
London 15
Nuremberg 15
Rome 15
Boston 14
Phoenix 14
Rio de Janeiro 14
Brussels 13
Timisoara 13
Falls Church 12
Johannesburg 12
Mexico City 12
Amsterdam 11
Ankara 11
Izmir 11
Porto Alegre 11
Columbus 10
Foligno 10
Manchester 10
Milan 10
Mumbai 10
Shanghai 10
Tashkent 10
Curitiba 9
Da Nang 9
Nairobi 9
Salvador 9
San Francisco 9
Baghdad 8
Brasília 8
Hefei 8
Vienna 8
Baku 7
Città Di Castello 7
Istanbul 7
Jeddah 7
Lappeenranta 7
Madrid 7
Ribeirão Preto 7
Aubiere 6
Buffalo 6
Dhaka 6
Guarulhos 6
Totale 6.688
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Nome #
Distributed and Collaborative Learning Objects Repositories on Grid Networks 171
Acetone clusters molecular dynamics using a semiempirical intermolecular potential 161
Integrating PUFA measurements and statystical analysis 142
Accurate analytic intermolecular potential for the simulation of Na+ and K+ ion hydration in liquid water 130
A Theoretical and Computational Approach to a Semi-classical Model for Electron Spectroscopy Calculations in Collisional Autoionization Processes 127
A Bond-Bond Portable Approach to Intermolecular Interactions: Simulations for N-methylacetamide and Carbon Dioxide Dimers 123
A Theoretical Investigation of 1-Butanol Unimolecular Decomposition 123
Energy transfer upon collision of selectively excited CO2 molecules: State-to-state cross sections and probabilities for modeling of atmospheres and gaseous flows 120
An Extension of the Grid Empowered Molecular Simulator to Quantum Reactive Scattering 117
A novel intermolecular potential to describe the interaction between the azide anion and carbon nanotubes 114
Grid calculation tools for massive applications of collision dynamics simulations: Carbon dioxide energy transfer 113
A computational study of the reaction cyanoacetylene and cyano radical leading to 2-butynedinitrile and hydrogen radical 113
Aqueous N-methylacetamide: New analytic potentials and a molecular dynamics study 111
Nanostructure Selectivity for Molecular Adsorption and Separation: The Case of Graphyne Layers 111
Distributed Gaussian orbitals for molecular calculations: application to simple systems 109
DETERMINAZIONE DEGLI ACIDI GRASSI POLINSATURI NEL PLASMA COME INDICE DEL RISCHIO/PROTEZIONE DELLA MALATTIA ARTERIOSCLEROTICA 108
Acetone-water mixtures: Molecular dynamics using a semiempirical intermolecular potential 107
A non orthogonal coordinate approach to atom diatom parallel reactive scattering calculations 106
Multi-scale theoretical investigation of molecular hydrogen adsorption over graphene: coronene as a case study 103
Calcoli di struttura elettronica e RRKM sulla reazione CH3OH2+ + CH3OH 103
A Grid Implementation of Direct Semiclassical Calculations of Rate Coefficients 102
COMPCHEM: progress towards GEMS a Grid Empowered Molecular Simulator and beyond 101
Reactions O(3P, 1D) + HCCCN(X1Σ+) (Cyanoacetylene): Crossed-Beam and Theoretical Studies and Implications for the Chemistry of Extraterrestrial Environments 100
Quantum versus semiclassic initial value representation probabilities for non reactive systems 100
A force field for acetone: the transition from small clusters to liquid phase investigated by molecular dynamics simulations 100
Electronic Structure and Kinetics Calculations for the Si+SH Reaction, a Possible Route of SiS Formation in Star-Forming Regions 97
A High-Level Ab Initio Study of the N2 + N2 Reaction Channel 96
Direct calculation of the rate coefficients on the grid: Exact quantum versus semiclassical results for N + N2 95
Foreword 95
Binary Classification of Proteins by a Machine Learning Approach 95
Quantum and semiclassical approaches to evaluate rate coefficients: Implementation of final state projections 93
An innovative synergistic Grid approach to the computational study of protein aggregation mechanisms 92
Modeling the Intermolecular Interactions and Characterization of the Dynamics of Collisional Autoionization Processes 91
A comparison of semiclassical IVR and exact quantum collinear atom diatom transition probabilities for mixed reactive and non reactive regimes 90
Benzene water interaction: From gaseous dimers to solvated aggregates 89
A semiclassical initial value representation approach to N+ N2 rate coefficient" 89
Potential models for the simulation of methane adsorption on graphene: Development and CCSD(T) benchmarks 89
Thermal rate coefficients in collinear versus bent transition state reactions: the N + N2 case study. 88
Carbon oxides in gas flows and earth and planetary atmospheres: State-to-state simulations of energy transfer and dissociation reactions 88
A comparison of semiclassical IVR and exact quantum collinear atom diatom transition probabilities for mixed reactive and non reactive regimes 88
A Theoretical Study on the Relevance of Protonated and Ionized Species of Methanimine and Methanol in Astrochemistry 88
Design and implementation of a Grid application for direct calculations of reactive rates 87
Modeling combustions: The ab initio treatment of the O(3P) + CH3OH reaction 87
A Theoretical Study on trans-Resveratrol - Cu(I) Complex 86
Thermal rate coefficients for the N + N2 reaction: Quasiclassical, semiclassical and quantum calculations 86
Ar Solvation Shells in (K+)-HFBz: From Cluster Rearrangement to Solvation Dynamics 86
A Minimal Model of Potential Energy Surface for the CO2 – CO System 86
A theoretical study on cyclacenes: Analytical tight-binding approach 85
A comparison of semiclassical IVR and exact quantum collinear atom diatom transition probabilities for mixed reactive and non reactive regimes. 84
The Invariance Approach to Structure and Dynamics: Classical Hyperspherical Coordinates 84
A portable intermolecular potential for molecular dynamics studies of NMA-NMA and NMA-H2O aggregates 83
Modeling the Interaction of Carbon Monoxide with Flexible Graphene: From Coupled Cluster Calculations to Molecular-Dynamics Simulations 83
A theoretical investigation of the reaction H+SIS2and Implications for the Chemistry of Silicon in the Interstellar Medium 83
Two-dimensional diamine-linked covalent organic frameworks for CO2/N2capture and separation: Theoretical modeling and simulations 82
Adsorption of Hydrogen Molecules on Carbon Nanotubes Using Quantum Chemistry and Molecular Dynamics 81
Interstellar dimethyl ether gas-phase formation: A quantum chemistry and kinetics study 81
Coding Cross Sections of an Electron Charge Transfer Process 80
From Computer Assisted to Grid Empowered Teaching and Learning Activities in Higher Chemistry Education”, 80
Semiclassical initial value representation versus exact quantum reaction probabilities. 80
N 3− azide anion confined inside finite-size carbon nanotubes 80
Long-Range Complex in the HC3 N + CN Potential Energy Surface: Ab Initio Calculations and Intermolecular Potential 80
Development of accurate potentials for the physisorption of water on graphene 79
Competitive solvation of K+ by C6H6 and H2O in the K+-(C6H6)n-(H2O)m (n=1-4; m= 1-6) aggregates. 78
Ion-Water Cluster Molecular Dynamics Using a Semiempirical Intermolecular Potential 78
Molecular Simulations of CO/N /H O Gaseous Mixture Separation in Graphtriyne Membrane 78
Full dimensional quantum versus semiclassical reactivity for the bent transition state reaction N + N2. 77
Tuning the magnetic properties of beryllium chains 76
Flexibility in the Graphene Sheet: The Influence on Gas Adsorption from Molecular Dynamics Studies 76
Fragmentation of Interstellar Methanol By Collisions With He.+: an Experimental and Computational Study 75
OH(2Π) + C2H4 Reaction: A Combined Crossed Molecular Beam and Theoretical Study 74
On the suitability of the ILJ function to match different formulations of the electrostatic potential for water-water interactions 74
Tetrahedral ordering in water: Raman profiles and their temperature dependence 73
A comparison of semiclassical IVR and exact quantum collinear atom diatom transition probabilities for mixed reactive and non reactive regimes 73
QCT calculations for CO2-CO2 73
Increasing Radical Character of Large [n]cyclacenes Unveiled by Wave Function Theory 73
A Computational Analysis of the DMSO-Water Interaction: Toward the Implementation of an Accurate Force Field 72
Similarities between the Cl--C6H6 and the K+-C6F6 aggregates 72
Multilayer Graphtriyne Membranes for Separation and Storage of CO2: Molecular Dynamics Simulations of Post-Combustion Model Mixtures 71
Silicon-bearing molecules in the shock L1157-B1: first detection of SiS around a Sun-like protostar 71
A grid implementation of direct quantum calculations of rate coefficients 71
Carbon Capture and Separation from CO2/N2/H2O Gaseous Mixtures in Bilayer Graphtriyne: A Molecular Dynamics Study 71
Reaction probabilities: Exact quantum and semiclassicL INITIAL VALUE REPRESENTATION (SC-IVR) CALCULATIONS 70
The role of a bent transition state on the N + N2 reactivity: semiclassical dynamics 70
Dimerization of methanimine and its charged species in the atmosphere of Titan and interstellar/cometary ice analogs 70
Collisional energy exchange in CO2–N2 gaseous mixtures 70
Confinement of the pentanitrogen cation inside carbon nanotubes 70
Gas Adsorption on Graphtriyne Membrane: Impact of the Induction Interaction Term on the Computational Cost 70
Confinement of CO 2 Inside (20,0) Single-Walled Carbon Nanotubes 69
A New Method for Binary Classification of Proteins with Machine Learning 68
Semiempirical Potential in Kinetics Calculations on the HC3N + CN Reaction 68
A simplified myoglobin model for molecular dynamics calculations 67
On the semiclassical initial value calculation of thermal rate coefficients for the N + N2 reaction. 66
Quantum vs Semiclassical Dynamics Approaches from Highly Symmetric to Asymmetric Reactions 63
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 62
Electronic structure and RRKM calculations on the reaction CH3OH2+ + CH3OH 62
A Computational Study of the Reaction Between N(2D) and Simple Aromatic Hydrocarbons 61
Theoretical investigation of possible formation routes of interstellar SiS 61
The He+. + CH3CN Charge-Exchange Reaction: A Combined Semi-empirical and Quantum Chemical Study 61
Coding Cross Sections of an Electron Charge Transfer Process: Analysis of Different Cuts for the Entrance and Exit Potentials 60
Modeling of Energy Transfer From Vibrationally Excited CO2 Molecules: Cross Sections and Probabilities for Kinetic Modeling of Atmospheres, Flows and Plasmas 60
Totale 8.775
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Categoria #
all - tutte 48.510
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 48.510
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021249 0 0 0 0 0 0 0 0 0 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
2024/20251.846 17 181 168 38 254 74 58 145 383 121 234 173
2025/20264.066 270 322 249 624 533 350 763 214 448 293 0 0
Totale 11.019