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

FAGINAS LAGO, Maria Noelia
 Distribuzione geografica
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Continente #
NA - Nord America 4.465
AS - Asia 2.988
EU - Europa 2.848
SA - Sud America 629
Continente sconosciuto - Info sul continente non disponibili 445
AF - Africa 76
OC - Oceania 2
Totale 11.453
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Nazione #
US - Stati Uniti d'America 4.296
SG - Singapore 1.512
IE - Irlanda 587
BR - Brasile 511
IT - Italia 470
RU - Federazione Russa 412
CN - Cina 363
HK - Hong Kong 342
SE - Svezia 308
VN - Vietnam 279
UA - Ucraina 193
FR - Francia 192
DE - Germania 178
FI - Finlandia 173
GB - Regno Unito 129
CA - Canada 97
IN - India 78
KR - Corea 69
BD - Bangladesh 61
AR - Argentina 47
TR - Turchia 46
MX - Messico 42
ID - Indonesia 35
PL - Polonia 33
IQ - Iraq 27
JP - Giappone 26
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
CO - Colombia 16
BE - Belgio 14
RO - Romania 14
MY - Malesia 12
PH - Filippine 12
VE - Venezuela 12
AL - Albania 10
KE - Kenya 10
LT - Lituania 10
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
CR - Costa Rica 5
DO - Repubblica Dominicana 5
ET - Etiopia 5
JO - Giordania 5
PE - Perù 5
UY - Uruguay 5
JM - Giamaica 4
KZ - Kazakistan 4
NO - Norvegia 4
PY - Paraguay 4
RS - Serbia 4
GE - Georgia 3
HN - Honduras 3
HR - Croazia 3
LY - Libia 3
OM - Oman 3
PA - Panama 3
SY - Repubblica araba siriana 3
BB - Barbados 2
BO - Bolivia 2
CD - Congo 2
DK - Danimarca 2
DZ - Algeria 2
GT - Guatemala 2
HU - Ungheria 2
IL - Israele 2
KG - Kirghizistan 2
PS - Palestinian Territory 2
PT - Portogallo 2
SC - Seychelles 2
AM - Armenia 1
AU - Australia 1
BH - Bahrain 1
BN - Brunei Darussalam 1
BW - Botswana 1
BZ - Belize 1
CG - Congo 1
CI - Costa d'Avorio 1
DJ - Gibuti 1
EE - Estonia 1
GF - Guiana Francese 1
GY - Guiana 1
KH - Cambogia 1
KW - Kuwait 1
Totale 11.001
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Città #
Singapore 1.041
Dublin 585
San Jose 498
Chandler 452
Hong Kong 341
San Mateo 302
Ashburn 246
Santa Clara 225
Boardman 169
Moscow 142
Altamura 137
Perugia 135
Dong Ket 129
Lauterbourg 126
Medford 125
Princeton 124
Wilmington 123
Lawrence 95
Ann Arbor 93
Andover 89
Jacksonville 86
New York 80
The Dalles 75
Los Angeles 73
Seoul 68
Beijing 65
Helsinki 58
Ho Chi Minh City 50
Munich 48
Des Moines 41
São Paulo 38
Norwalk 34
Hanoi 33
Piscataway 32
Phoenix 28
Saint Petersburg 26
San Paolo di Civitate 26
Turku 26
Brooklyn 24
Frankfurt am Main 24
Tokyo 24
Montreal 23
Redmond 23
Toronto 23
Warsaw 22
Chicago 21
Ottawa 21
Dallas 20
Denver 20
Atlanta 19
Belo Horizonte 19
Houston 19
Orem 18
Rome 18
Chennai 17
Jakarta 17
Falkenstein 16
Poplar 16
Stockholm 16
Woodbridge 16
London 15
Nuremberg 15
Boston 14
Rio de Janeiro 14
Brussels 13
Timisoara 13
Buffalo 12
Falls Church 12
Johannesburg 12
Mexico City 12
Amsterdam 11
Ankara 11
Izmir 11
Milan 11
Porto Alegre 11
Columbus 10
Foligno 10
Manchester 10
Mumbai 10
San Francisco 10
Shanghai 10
Tashkent 10
Council Bluffs 9
Curitiba 9
Da Nang 9
Nairobi 9
Salvador 9
Baghdad 8
Brasília 8
Hefei 8
Istanbul 8
Vienna 8
Baku 7
Città Di Castello 7
Jeddah 7
Lappeenranta 7
Madrid 7
Ribeirão Preto 7
Aubiere 6
Dhaka 6
Totale 6.896
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Nome #
Distributed and Collaborative Learning Objects Repositories on Grid Networks 175
Acetone clusters molecular dynamics using a semiempirical intermolecular potential 166
Integrating PUFA measurements and statystical analysis 144
A Theoretical and Computational Approach to a Semi-classical Model for Electron Spectroscopy Calculations in Collisional Autoionization Processes 132
A Bond-Bond Portable Approach to Intermolecular Interactions: Simulations for N-methylacetamide and Carbon Dioxide Dimers 131
Accurate analytic intermolecular potential for the simulation of Na+ and K+ ion hydration in liquid water 131
A Theoretical Investigation of 1-Butanol Unimolecular Decomposition 124
An Extension of the Grid Empowered Molecular Simulator to Quantum Reactive Scattering 122
Energy transfer upon collision of selectively excited CO2 molecules: State-to-state cross sections and probabilities for modeling of atmospheres and gaseous flows 121
A novel intermolecular potential to describe the interaction between the azide anion and carbon nanotubes 120
A computational study of the reaction cyanoacetylene and cyano radical leading to 2-butynedinitrile and hydrogen radical 117
Grid calculation tools for massive applications of collision dynamics simulations: Carbon dioxide energy transfer 115
Nanostructure Selectivity for Molecular Adsorption and Separation: The Case of Graphyne Layers 115
Reactions O(3P, 1D) + HCCCN(X1Σ+) (Cyanoacetylene): Crossed-Beam and Theoretical Studies and Implications for the Chemistry of Extraterrestrial Environments 113
Calcoli di struttura elettronica e RRKM sulla reazione CH3OH2+ + CH3OH 113
A non orthogonal coordinate approach to atom diatom parallel reactive scattering calculations 112
Aqueous N-methylacetamide: New analytic potentials and a molecular dynamics study 112
Acetone-water mixtures: Molecular dynamics using a semiempirical intermolecular potential 111
Distributed Gaussian orbitals for molecular calculations: application to simple systems 111
DETERMINAZIONE DEGLI ACIDI GRASSI POLINSATURI NEL PLASMA COME INDICE DEL RISCHIO/PROTEZIONE DELLA MALATTIA ARTERIOSCLEROTICA 109
A Grid Implementation of Direct Semiclassical Calculations of Rate Coefficients 108
Multi-scale theoretical investigation of molecular hydrogen adsorption over graphene: coronene as a case study 106
A force field for acetone: the transition from small clusters to liquid phase investigated by molecular dynamics simulations 106
Quantum versus semiclassic initial value representation probabilities for non reactive systems 102
COMPCHEM: progress towards GEMS a Grid Empowered Molecular Simulator and beyond 102
Electronic Structure and Kinetics Calculations for the Si+SH Reaction, a Possible Route of SiS Formation in Star-Forming Regions 100
A High-Level Ab Initio Study of the N2 + N2 Reaction Channel 99
Binary Classification of Proteins by a Machine Learning Approach 99
Direct calculation of the rate coefficients on the grid: Exact quantum versus semiclassical results for N + N2 97
Foreword 95
A comparison of semiclassical IVR and exact quantum collinear atom diatom transition probabilities for mixed reactive and non reactive regimes 95
An innovative synergistic Grid approach to the computational study of protein aggregation mechanisms 95
A semiclassical initial value representation approach to N+ N2 rate coefficient" 93
Modeling the Intermolecular Interactions and Characterization of the Dynamics of Collisional Autoionization Processes 93
Quantum and semiclassical approaches to evaluate rate coefficients: Implementation of final state projections 93
Long-Range Complex in the HC3 N + CN Potential Energy Surface: Ab Initio Calculations and Intermolecular Potential 92
A Minimal Model of Potential Energy Surface for the CO2 – CO System 92
Benzene water interaction: From gaseous dimers to solvated aggregates 91
Carbon oxides in gas flows and earth and planetary atmospheres: State-to-state simulations of energy transfer and dissociation reactions 91
A comparison of semiclassical IVR and exact quantum collinear atom diatom transition probabilities for mixed reactive and non reactive regimes. 91
A comparison of semiclassical IVR and exact quantum collinear atom diatom transition probabilities for mixed reactive and non reactive regimes 90
Potential models for the simulation of methane adsorption on graphene: Development and CCSD(T) benchmarks 90
Thermal rate coefficients in collinear versus bent transition state reactions: the N + N2 case study. 89
Thermal rate coefficients for the N + N2 reaction: Quasiclassical, semiclassical and quantum calculations 89
A theoretical investigation of the reaction H+SIS2and Implications for the Chemistry of Silicon in the Interstellar Medium 89
The Invariance Approach to Structure and Dynamics: Classical Hyperspherical Coordinates 89
Design and implementation of a Grid application for direct calculations of reactive rates 88
A Theoretical Study on the Relevance of Protonated and Ionized Species of Methanimine and Methanol in Astrochemistry 88
Modeling combustions: The ab initio treatment of the O(3P) + CH3OH reaction 87
A theoretical study on cyclacenes: Analytical tight-binding approach 87
A Theoretical Study on trans-Resveratrol - Cu(I) Complex 86
A portable intermolecular potential for molecular dynamics studies of NMA-NMA and NMA-H2O aggregates 86
Ar Solvation Shells in (K+)-HFBz: From Cluster Rearrangement to Solvation Dynamics 86
Modeling the Interaction of Carbon Monoxide with Flexible Graphene: From Coupled Cluster Calculations to Molecular-Dynamics Simulations 86
Interstellar dimethyl ether gas-phase formation: A quantum chemistry and kinetics study 85
N 3− azide anion confined inside finite-size carbon nanotubes 84
Adsorption of Hydrogen Molecules on Carbon Nanotubes Using Quantum Chemistry and Molecular Dynamics 83
Two-dimensional diamine-linked covalent organic frameworks for CO2/N2capture and separation: Theoretical modeling and simulations 83
Competitive solvation of K+ by C6H6 and H2O in the K+-(C6H6)n-(H2O)m (n=1-4; m= 1-6) aggregates. 82
From Computer Assisted to Grid Empowered Teaching and Learning Activities in Higher Chemistry Education”, 81
Ion-Water Cluster Molecular Dynamics Using a Semiempirical Intermolecular Potential 81
Flexibility in the Graphene Sheet: The Influence on Gas Adsorption from Molecular Dynamics Studies 81
Development of accurate potentials for the physisorption of water on graphene 80
Coding Cross Sections of an Electron Charge Transfer Process 80
Semiclassical initial value representation versus exact quantum reaction probabilities. 80
Molecular Simulations of CO/N /H O Gaseous Mixture Separation in Graphtriyne Membrane 80
Fragmentation of Interstellar Methanol By Collisions With He.+: an Experimental and Computational Study 78
OH(2Π) + C2H4 Reaction: A Combined Crossed Molecular Beam and Theoretical Study 78
Tetrahedral ordering in water: Raman profiles and their temperature dependence 78
Full dimensional quantum versus semiclassical reactivity for the bent transition state reaction N + N2. 78
Tuning the magnetic properties of beryllium chains 78
A Computational Analysis of the DMSO-Water Interaction: Toward the Implementation of an Accurate Force Field 77
On the suitability of the ILJ function to match different formulations of the electrostatic potential for water-water interactions 77
A grid implementation of direct quantum calculations of rate coefficients 77
Gas Adsorption on Graphtriyne Membrane: Impact of the Induction Interaction Term on the Computational Cost 77
QCT calculations for CO2-CO2 76
Increasing Radical Character of Large [n]cyclacenes Unveiled by Wave Function Theory 76
A comparison of semiclassical IVR and exact quantum collinear atom diatom transition probabilities for mixed reactive and non reactive regimes 74
Carbon Capture and Separation from CO2/N2/H2O Gaseous Mixtures in Bilayer Graphtriyne: A Molecular Dynamics Study 74
Confinement of CO 2 Inside (20,0) Single-Walled Carbon Nanotubes 73
Dimerization of methanimine and its charged species in the atmosphere of Titan and interstellar/cometary ice analogs 73
Confinement of the pentanitrogen cation inside carbon nanotubes 73
Multilayer Graphtriyne Membranes for Separation and Storage of CO2: Molecular Dynamics Simulations of Post-Combustion Model Mixtures 72
Similarities between the Cl--C6H6 and the K+-C6F6 aggregates 72
Reaction probabilities: Exact quantum and semiclassicL INITIAL VALUE REPRESENTATION (SC-IVR) CALCULATIONS 72
Silicon-bearing molecules in the shock L1157-B1: first detection of SiS around a Sun-like protostar 72
On the semiclassical initial value calculation of thermal rate coefficients for the N + N2 reaction. 71
The role of a bent transition state on the N + N2 reactivity: semiclassical dynamics 71
A simplified myoglobin model for molecular dynamics calculations 71
A New Method for Binary Classification of Proteins with Machine Learning 71
Semiempirical Potential in Kinetics Calculations on the HC3N + CN Reaction 71
Collisional energy exchange in CO2–N2 gaseous mixtures 70
Quantum vs Semiclassical Dynamics Approaches from Highly Symmetric to Asymmetric Reactions 67
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 67
Grand canonical monte carlo simulations to determine the optimal interlayer distance of a graphene slit-shaped pore for adsorption of methane, hydrogen and their equimolar mixture 66
Coding Cross Sections of an Electron Charge Transfer Process: Analysis of Different Cuts for the Entrance and Exit Potentials 64
A Computational Study of the Reaction Between N(2D) and Simple Aromatic Hydrocarbons 64
The He+. + CH3CN Charge-Exchange Reaction: A Combined Semi-empirical and Quantum Chemical Study 64
Unveiling the Reaction Mechanism of the N(2D) + Pyridine Reaction: Ring-Contraction versus 7-Membered-Ring Formation Channels 63
Nitrogen gas on graphene: Pairwise interaction potentials 63
Totale 9.092
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Categoria #
all - tutte 54.072
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 54.072
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2021/20221.099 0 216 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
2025/20264.291 270 322 249 624 533 350 763 214 448 355 114 49
2026/2027209 96 113 0 0 0 0 0 0 0 0 0 0
Totale 11.453