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

FAGINAS LAGO, Maria Noelia
 Distribuzione geografica
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Continente #
NA - Nord America 3.433
EU - Europa 2.474
AS - Asia 2.168
SA - Sud America 504
AF - Africa 39
Continente sconosciuto - Info sul continente non disponibili 8
Totale 8.626
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Nazione #
US - Stati Uniti d'America 3.327
SG - Singapore 1.068
IE - Irlanda 585
BR - Brasile 448
IT - Italia 427
HK - Hong Kong 319
SE - Svezia 305
RU - Federazione Russa 292
CN - Cina 280
VN - Vietnam 234
UA - Ucraina 189
FI - Finlandia 168
DE - Germania 164
GB - Regno Unito 108
KR - Corea 69
CA - Canada 67
FR - Francia 56
PL - Polonia 31
IN - India 29
MX - Messico 27
BD - Bangladesh 24
AT - Austria 23
ID - Indonesia 23
TR - Turchia 23
AR - Argentina 21
JP - Giappone 21
ES - Italia 19
NL - Olanda 18
CH - Svizzera 16
ZA - Sudafrica 15
BE - Belgio 14
RO - Romania 14
UZ - Uzbekistan 13
PK - Pakistan 10
AE - Emirati Arabi Uniti 9
EC - Ecuador 9
IQ - Iraq 9
LT - Lituania 9
EU - Europa 8
BG - Bulgaria 6
CO - Colombia 6
CZ - Repubblica Ceca 6
GR - Grecia 6
VE - Venezuela 6
AZ - Azerbaigian 5
EG - Egitto 5
KE - Kenya 5
LB - Libano 5
AL - Albania 4
DO - Repubblica Dominicana 4
MA - Marocco 4
NO - Norvegia 4
PH - Filippine 4
KZ - Kazakistan 3
NP - Nepal 3
PE - Perù 3
PY - Paraguay 3
RS - Serbia 3
SA - Arabia Saudita 3
UY - Uruguay 3
CD - Congo 2
CL - Cile 2
GE - Georgia 2
HR - Croazia 2
JO - Giordania 2
MY - Malesia 2
PS - Palestinian Territory 2
TN - Tunisia 2
AM - Armenia 1
BB - Barbados 1
BH - Bahrain 1
BN - Brunei Darussalam 1
BO - Bolivia 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
HN - Honduras 1
HU - Ungheria 1
IL - Israele 1
JM - Giamaica 1
KH - Cambogia 1
LU - Lussemburgo 1
LY - Libia 1
MT - Malta 1
MZ - Mozambico 1
OM - Oman 1
PA - Panama 1
SK - Slovacchia (Repubblica Slovacca) 1
TT - Trinidad e Tobago 1
VC - Saint Vincent e Grenadine 1
Totale 8.626
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Città #
Singapore 655
Dublin 583
Chandler 451
Hong Kong 318
San Mateo 302
Santa Clara 196
Boardman 169
Ashburn 147
Altamura 137
Perugia 133
Dong Ket 129
Medford 125
Princeton 124
Wilmington 123
Lawrence 95
Ann Arbor 93
Moscow 92
Andover 89
Jacksonville 84
Seoul 68
New York 61
Los Angeles 54
Helsinki 53
Beijing 51
Munich 48
Des Moines 39
Ho Chi Minh City 38
São Paulo 36
Norwalk 34
The Dalles 30
Piscataway 28
Hanoi 26
Saint Petersburg 26
San Paolo di Civitate 26
Turku 26
Brooklyn 23
Redmond 23
Ottawa 20
Tokyo 20
Toronto 20
Warsaw 20
Belo Horizonte 19
Atlanta 17
Frankfurt am Main 17
Denver 16
Falkenstein 16
Houston 16
Woodbridge 16
Chicago 15
Dallas 15
Boston 14
Jakarta 14
Stockholm 14
Brussels 13
London 13
Rio de Janeiro 13
Timisoara 13
Falls Church 12
Montreal 12
Phoenix 12
Izmir 11
Johannesburg 11
Nuremberg 11
Poplar 11
Columbus 10
Foligno 10
Porto Alegre 10
Shanghai 10
Chennai 9
Curitiba 9
Manchester 9
Mexico City 9
Milan 9
Mumbai 9
San Francisco 9
Amsterdam 8
Hefei 8
Brasília 7
Città Di Castello 7
Lappeenranta 7
Madrid 7
Rome 7
Vienna 7
Ankara 6
Aubiere 6
Buffalo 6
Da Nang 6
Guarulhos 6
Orem 6
Ribeirão Preto 6
Tashkent 6
Zhengzhou 6
Bologna 5
Changsha 5
Haiphong 5
Redwood City 5
Salerno 5
Salvador 5
Baku 4
Bexley 4
Totale 5.389
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Nome #
Distributed and Collaborative Learning Objects Repositories on Grid Networks 161
Acetone clusters molecular dynamics using a semiempirical intermolecular potential 153
Integrating PUFA measurements and statystical analysis 119
A Theoretical and Computational Approach to a Semi-classical Model for Electron Spectroscopy Calculations in Collisional Autoionization Processes 118
Accurate analytic intermolecular potential for the simulation of Na+ and K+ ion hydration in liquid water 115
A Bond-Bond Portable Approach to Intermolecular Interactions: Simulations for N-methylacetamide and Carbon Dioxide Dimers 109
Grid calculation tools for massive applications of collision dynamics simulations: Carbon dioxide energy transfer 106
A Theoretical Investigation of 1-Butanol Unimolecular Decomposition 106
An Extension of the Grid Empowered Molecular Simulator to Quantum Reactive Scattering 100
Energy transfer upon collision of selectively excited CO2 molecules: State-to-state cross sections and probabilities for modeling of atmospheres and gaseous flows 100
Aqueous N-methylacetamide: New analytic potentials and a molecular dynamics study 99
A computational study of the reaction cyanoacetylene and cyano radical leading to 2-butynedinitrile and hydrogen radical 99
Acetone-water mixtures: Molecular dynamics using a semiempirical intermolecular potential 94
Multi-scale theoretical investigation of molecular hydrogen adsorption over graphene: coronene as a case study 93
Nanostructure Selectivity for Molecular Adsorption and Separation: The Case of Graphyne Layers 93
A non orthogonal coordinate approach to atom diatom parallel reactive scattering calculations 92
DETERMINAZIONE DEGLI ACIDI GRASSI POLINSATURI NEL PLASMA COME INDICE DEL RISCHIO/PROTEZIONE DELLA MALATTIA ARTERIOSCLEROTICA 92
Calcoli di struttura elettronica e RRKM sulla reazione CH3OH2+ + CH3OH 90
A novel intermolecular potential to describe the interaction between the azide anion and carbon nanotubes 89
Quantum versus semiclassic initial value representation probabilities for non reactive systems 88
Foreword 88
COMPCHEM: progress towards GEMS a Grid Empowered Molecular Simulator and beyond 86
Distributed Gaussian orbitals for molecular calculations: application to simple systems 86
A Grid Implementation of Direct Semiclassical Calculations of Rate Coefficients 85
Direct calculation of the rate coefficients on the grid: Exact quantum versus semiclassical results for N + N2 84
Electronic Structure and Kinetics Calculations for the Si+SH Reaction, a Possible Route of SiS Formation in Star-Forming Regions 84
A High-Level Ab Initio Study of the N2 + N2 Reaction Channel 80
Quantum and semiclassical approaches to evaluate rate coefficients: Implementation of final state projections 79
A force field for acetone: the transition from small clusters to liquid phase investigated by molecular dynamics simulations 79
Binary Classification of Proteins by a Machine Learning Approach 79
Reactions O(3P, 1D) + HCCCN(X1Σ+) (Cyanoacetylene): Crossed-Beam and Theoretical Studies and Implications for the Chemistry of Extraterrestrial Environments 78
Modeling the Intermolecular Interactions and Characterization of the Dynamics of Collisional Autoionization Processes 78
Ar Solvation Shells in (K+)-HFBz: From Cluster Rearrangement to Solvation Dynamics 78
Thermal rate coefficients for the N + N2 reaction: Quasiclassical, semiclassical and quantum calculations 77
A comparison of semiclassical IVR and exact quantum collinear atom diatom transition probabilities for mixed reactive and non reactive regimes 76
A comparison of semiclassical IVR and exact quantum collinear atom diatom transition probabilities for mixed reactive and non reactive regimes 76
An innovative synergistic Grid approach to the computational study of protein aggregation mechanisms 75
Thermal rate coefficients in collinear versus bent transition state reactions: the N + N2 case study. 73
Benzene water interaction: From gaseous dimers to solvated aggregates 73
A semiclassical initial value representation approach to N+ N2 rate coefficient" 73
A theoretical investigation of the reaction H+SIS2and Implications for the Chemistry of Silicon in the Interstellar Medium 73
Interstellar dimethyl ether gas-phase formation: A quantum chemistry and kinetics study 73
Potential models for the simulation of methane adsorption on graphene: Development and CCSD(T) benchmarks 73
A Minimal Model of Potential Energy Surface for the CO2 – CO System 73
Full dimensional quantum versus semiclassical reactivity for the bent transition state reaction N + N2. 72
Carbon oxides in gas flows and earth and planetary atmospheres: State-to-state simulations of energy transfer and dissociation reactions 71
From Computer Assisted to Grid Empowered Teaching and Learning Activities in Higher Chemistry Education”, 70
Modeling combustions: The ab initio treatment of the O(3P) + CH3OH reaction 70
A Theoretical Study on the Relevance of Protonated and Ionized Species of Methanimine and Methanol in Astrochemistry 70
Coding Cross Sections of an Electron Charge Transfer Process 69
A portable intermolecular potential for molecular dynamics studies of NMA-NMA and NMA-H2O aggregates 69
Design and implementation of a Grid application for direct calculations of reactive rates 69
Competitive solvation of K+ by C6H6 and H2O in the K+-(C6H6)n-(H2O)m (n=1-4; m= 1-6) aggregates. 69
N 3− azide anion confined inside finite-size carbon nanotubes 69
A comparison of semiclassical IVR and exact quantum collinear atom diatom transition probabilities for mixed reactive and non reactive regimes. 68
Modeling the Interaction of Carbon Monoxide with Flexible Graphene: From Coupled Cluster Calculations to Molecular-Dynamics Simulations 68
Tetrahedral ordering in water: Raman profiles and their temperature dependence 67
Ion-Water Cluster Molecular Dynamics Using a Semiempirical Intermolecular Potential 66
A theoretical study on cyclacenes: Analytical tight-binding approach 66
Long-Range Complex in the HC3 N + CN Potential Energy Surface: Ab Initio Calculations and Intermolecular Potential 66
Semiclassical initial value representation versus exact quantum reaction probabilities. 65
Two-dimensional diamine-linked covalent organic frameworks for CO2/N2capture and separation: Theoretical modeling and simulations 65
A Theoretical Study on trans-Resveratrol - Cu(I) Complex 64
Adsorption of Hydrogen Molecules on Carbon Nanotubes Using Quantum Chemistry and Molecular Dynamics 64
Molecular Simulations of CO/N /H O Gaseous Mixture Separation in Graphtriyne Membrane 64
On the suitability of the ILJ function to match different formulations of the electrostatic potential for water-water interactions 63
Similarities between the Cl--C6H6 and the K+-C6F6 aggregates 63
The Invariance Approach to Structure and Dynamics: Classical Hyperspherical Coordinates 62
Fragmentation of Interstellar Methanol By Collisions With He.+: an Experimental and Computational Study 61
Dimerization of methanimine and its charged species in the atmosphere of Titan and interstellar/cometary ice analogs 61
Gas Adsorption on Graphtriyne Membrane: Impact of the Induction Interaction Term on the Computational Cost 61
A comparison of semiclassical IVR and exact quantum collinear atom diatom transition probabilities for mixed reactive and non reactive regimes 60
Silicon-bearing molecules in the shock L1157-B1: first detection of SiS around a Sun-like protostar 60
Multilayer Graphtriyne Membranes for Separation and Storage of CO2: Molecular Dynamics Simulations of Post-Combustion Model Mixtures 59
Confinement of CO 2 Inside (20,0) Single-Walled Carbon Nanotubes 59
Collisional energy exchange in CO2–N2 gaseous mixtures 59
OH(2Π) + C2H4 Reaction: A Combined Crossed Molecular Beam and Theoretical Study 58
On the semiclassical initial value calculation of thermal rate coefficients for the N + N2 reaction. 58
Increasing Radical Character of Large [n]cyclacenes Unveiled by Wave Function Theory 58
Reaction probabilities: Exact quantum and semiclassicL INITIAL VALUE REPRESENTATION (SC-IVR) CALCULATIONS 57
A simplified myoglobin model for molecular dynamics calculations 57
Semiempirical Potential in Kinetics Calculations on the HC3N + CN Reaction 57
QCT calculations for CO2-CO2 56
Carbon Capture and Separation from CO2/N2/H2O Gaseous Mixtures in Bilayer Graphtriyne: A Molecular Dynamics Study 56
A New Method for Binary Classification of Proteins with Machine Learning 56
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 55
Tuning the magnetic properties of beryllium chains 55
A grid implementation of direct quantum calculations of rate coefficients 54
Confinement of the pentanitrogen cation inside carbon nanotubes 53
Quantum vs Semiclassical Dynamics Approaches from Highly Symmetric to Asymmetric Reactions 52
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 52
Flexibility in the Graphene Sheet: The Influence on Gas Adsorption from Molecular Dynamics Studies 51
Electronic structure and RRKM calculations on the reaction CH3OH2+ + CH3OH 50
”Implementation of a Semiclassical Initial Value Representation code on the Grid to calculate rate coefficients of atom diatom reaction 49
Modeling of Energy Transfer From Vibrationally Excited CO2 Molecules: Cross Sections and Probabilities for Kinetic Modeling of Atmospheres, Flows and Plasmas 49
Coding Cross Sections of an Electron Charge Transfer Process: Analysis of Different Cuts for the Entrance and Exit Potentials 48
Development of accurate potentials for the physisorption of water on graphene 48
Ion Size Influence on the Ar Solvation Shells of M+ −C6F6 Clusters (M = Na, K, Rb, Cs) 48
A Computational Study of the Reaction Between N(2D) and Simple Aromatic Hydrocarbons 47
Toward a Generalized Hückel Rule: The Electronic Structure of Carbon Nanocones 47
Totale 7.355
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Categoria #
all - tutte 44.496
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 44.496
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021382 0 0 0 0 0 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
2024/20251.846 17 181 168 38 254 74 58 145 383 121 234 173
2025/20262.108 270 322 249 624 533 110 0 0 0 0 0 0
Totale 9.061