IRIS Institutional Research Information System - AIR Archivio Istituzionale della Ricerca

AIETA, CHIARA DONATELLA
 Distribuzione geografica
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Continente #
NA - Nord America 3.105
AS - Asia 2.962
EU - Europa 2.419
SA - Sud America 295
AF - Africa 95
OC - Oceania 10
Continente sconosciuto - Info sul continente non disponibili 3
Totale 8.889
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Nazione #
US - Stati Uniti d'America 3.020
CN - Cina 906
IT - Italia 874
SG - Singapore 860
HK - Hong Kong 330
GB - Regno Unito 298
BR - Brasile 235
VN - Vietnam 224
DE - Germania 211
RU - Federazione Russa 205
SE - Svezia 170
FR - Francia 169
IN - India 153
NL - Olanda 135
BD - Bangladesh 109
KR - Corea 86
CH - Svizzera 69
FI - Finlandia 62
JP - Giappone 57
ID - Indonesia 54
IE - Irlanda 51
CI - Costa d'Avorio 48
TR - Turchia 44
CA - Canada 37
DK - Danimarca 35
MX - Messico 27
PL - Polonia 22
AR - Argentina 21
ES - Italia 20
PH - Filippine 19
ZA - Sudafrica 19
IQ - Iraq 18
BE - Belgio 16
AT - Austria 14
NO - Norvegia 13
PK - Pakistan 12
UA - Ucraina 12
IL - Israele 11
SA - Arabia Saudita 10
AU - Australia 9
CZ - Repubblica Ceca 9
MY - Malesia 9
AE - Emirati Arabi Uniti 8
EC - Ecuador 8
TW - Taiwan 8
VE - Venezuela 8
CO - Colombia 7
UZ - Uzbekistan 7
NP - Nepal 6
PY - Paraguay 6
GR - Grecia 5
IR - Iran 5
PE - Perù 5
SC - Seychelles 5
TH - Thailandia 5
HN - Honduras 4
LT - Lituania 4
MA - Marocco 4
TN - Tunisia 4
AL - Albania 3
DZ - Algeria 3
EU - Europa 3
JM - Giamaica 3
PT - Portogallo 3
AZ - Azerbaigian 2
BY - Bielorussia 2
CL - Cile 2
CR - Costa Rica 2
DO - Repubblica Dominicana 2
GP - Guadalupe 2
HR - Croazia 2
HU - Ungheria 2
KE - Kenya 2
KG - Kirghizistan 2
KZ - Kazakistan 2
LK - Sri Lanka 2
LU - Lussemburgo 2
MN - Mongolia 2
OM - Oman 2
PS - Palestinian Territory 2
RO - Romania 2
RS - Serbia 2
RW - Ruanda 2
SK - Slovacchia (Repubblica Slovacca) 2
UY - Uruguay 2
AG - Antigua e Barbuda 1
AM - Armenia 1
BB - Barbados 1
BG - Bulgaria 1
BH - Bahrain 1
BO - Bolivia 1
BS - Bahamas 1
BW - Botswana 1
DM - Dominica 1
EE - Estonia 1
ET - Etiopia 1
GH - Ghana 1
GT - Guatemala 1
JO - Giordania 1
KH - Cambogia 1
Totale 8.874
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Città #
Ashburn 603
Singapore 451
Milan 398
Hong Kong 295
San Jose 244
Southend 214
Chandler 205
Brescia 157
Hefei 140
Dallas 139
Beijing 131
Los Angeles 126
Santa Clara 117
Council Bluffs 95
Wilmington 83
Fairfield 81
Ho Chi Minh City 72
Seoul 67
Bengaluru 58
Munich 58
Princeton 58
Frankfurt am Main 55
New York 52
Dublin 51
Lauterbourg 50
Abidjan 48
Houston 47
Woodbridge 46
Ann Arbor 45
Hanoi 45
Jakarta 43
Moscow 43
Seattle 43
Cambridge 42
Phoenix 36
Buffalo 33
Guangzhou 33
Dearborn 31
Istanbul 31
Rome 26
Zurich 25
Lappeenranta 24
Shanghai 22
Tokyo 22
Helsinki 21
São Paulo 21
Columbus 20
Des Moines 20
Chicago 19
Da Nang 19
Hangzhou 19
Madison 19
Kyoto 18
Lausanne 18
Medford 17
Redwood City 17
Cangzhou 16
Jinan 16
Atlanta 15
Trivolzio 15
Nuremberg 14
Warsaw 14
Amsterdam 13
Boardman 13
Brussels 13
Nanjing 13
Johannesburg 12
London 12
Montreal 12
Orem 12
Berlin 11
Boston 11
Brasília 11
Pune 11
Bjornemyrdalen 10
Brooklyn 10
Chennai 10
Gothenburg 10
Mumbai 10
Turku 10
Vienna 10
Zhengzhou 10
Haiphong 9
Wuhan 9
Catania 8
Fuzhou 8
Honolulu 8
New Haven 8
Paris 8
Roubaix 8
San Diego 8
Shenyang 8
Toronto 8
Basingstoke 7
Changsha 7
Denver 7
Dresden 7
Falls Church 7
Hebei 7
Quanzhou 7
Totale 5.366
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Nome #
Machine learning for vibrational spectroscopy via divide-and-conquer semiclassical initial value representation molecular dynamics with application to N-methylacetamide 528
QUANTUM AND SEMICLASSICAL METHODS FOR RATE CONSTANT CALCULATIONS 330
Unraveling the cooperative mechanism of visible-light absorption in bulk N,Nb codoped TiO2 powders of nanomaterials 310
Semiclassical Initial Value Representation Molecular Dynamics for Spectroscopy 268
Semiclassical Molecular Dynamics : a useful Tool for Spectroscopic Interpretation 246
Semiclassical molecular dynamics for spectroscopic calculations of high dimensional and condensed phase molecular systems 241
An efficient computational approach for the calculation of the vibrational density of states 233
Anharmonic quantum nuclear densities from full dimensional vibrational eigenfunctions with application to protonated glycine 232
Semiclassical vibrational spectroscopy from small molecules to solvated biomolecules 222
An Efficient Computational Approach for the Calculation of the Vibrational Density of States 214
Anharmonicity and quantum nuclear effects in theoretical vibrational spectroscopy: A molecular tale of two cities 205
Representing molecular ground and excited vibrational eigenstates with nuclear densities obtained from semiclassical initial value representation molecular dynamics 205
Improved semiclassical dynamics through adiabatic switching trajectory sampling 193
Fighting the curse of dimensionality with semiclassical approaches in reaction rate theory 183
From anharmonicity to Nuclear Quantum Effects in medium and large sized molecular systems 181
Parallel Implementation of Semiclassical Transition State Theory and its application to high-dimensional tunneling reactions 181
A Perspective on the Investigation of Spectroscopy and Kinetics of Complex Molecular Systems with Semiclassical Approaches 179
Vibrational Spectroscopy Through Time Averaged Fourier Transform of Autocorrelated Molecular Dynamics Data: Introducing the Free SEMISOFT Web‐Platform 176
A time averaged semiclassical approach to IR spectroscopy 173
Parallel Implementation of Anharmonic Constants to Speedup Semiclassical Transition State Theory Rate Constant Calculations 173
Heavy Atom Tunneling in Organic Reactions at Coupled Cluster Potential Accuracy with a Parallel Implementation of Anharmonic Constant Calculations and Semiclassical Transition State Theory 169
Semiclassical Molecular Dynamics for Spectroscopic Calculations 168
A quantum method for thermal rate constant calculations from stationary phase approximation of the thermal flux-flux correlation function integral 167
Doped nano-titania: theoretical insight into structure-property relationships 166
Parallel Implementation of Semiclassical Transition State Theory 158
The complex vibrational spectrum of proline explained through the adiabatically switched semiclassical initial value representation 157
Semiclassical description of nuclear quantum effects in solvated and condensed phase molecular systems 155
A quantum approximate method for the calculation of thermal reaction rate constants 155
Semiclassical investigation of nuclear quantum effects in chemical kinetics and vibrational spectroscopy 151
Semiclassical Molecular Dynamics for Spectroscopy 151
A Time Averaged Approach to IR Spectroscopy 150
Quantum nuclear densities from semiclassical on-the-fly molecular dynamics 147
Semiclassical Molecular Dynamics as a useful tool for Nuclear Spectroscopy 146
A web platform for time averaged Fourier transform of autocorrelated data 146
MultiWell-2020 software suite 144
Quantum and Semiclassical Methods for Molecular Rate Constants and Vibrational Spectra Calculations 142
Coupled Cluster Semiclassical Estimates of Experimental Reaction Rates: The Interconversion of Glycine Conformer VIp to Ip 137
Second generation nitrogen doped titania nanoparticles: a comprehensive electronic and microstructural picture 136
A semiclassical route to the calculation of IR spectra 136
Quantum dynamics through a handful of semiclassical trajectories 134
Implementations of Semiclassical Approximations for Spectroscopic and Vibrational Eigenfunction Calculations 134
An extended semiclassical initial value representation approach to IR spectroscopy 131
Semiclassical reaction rate constant calculations: investigation of anharmonicity and quantum effects 130
Semiclassical “Divide-and-Conquer” Method for Spectroscopic Calculations of High Dimensional Molecular Systems 127
Modified vibrational perturbation theory as applied to the collinear H + H2 and D + H2 reactions 126
Is Quantum Above-Barrier Reflection Important for Molecular Barrier Crossing Rates? 121
Quantum nuclear densities from semiclassical on-the-fly molecular dynamics 115
Using AS SCIVR to understand Proline vibrational spectrum 114
A Time Averaged Semiclassical Approach to IR Spectroscopy 106
Eludicating Heavy‐Atom‐Tunneling Kinetics in the Cope Rearrangement of Semibullvalene 106
Quantum nuclear densities from semiclassical on-the-fly molecular dynamics 100
A quantum approximate method for the calculation of thermal reaction rate constants 98
Solvation or not solvation: tunneling reactions of molecules embedded in cryogenic matrices 51
Quantum Vibrational Spectroscopy with Classical Trajectories 47
Nuclear–electronic orbital quasiclassical trajectory method for vibrational spectroscopy 10
Semiclassical molecular dynamics for IR spectroscopy of molecules and materials 1
Totale 9.205
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Categoria #
all - tutte 23.674
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 23.674
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/202144 0 0 0 0 0 0 0 0 0 0 25 19
2021/2022506 33 22 15 42 70 41 32 24 42 44 28 113
2022/2023630 69 75 63 56 58 108 15 37 63 17 56 13
2023/2024794 17 23 39 52 106 47 37 275 38 39 50 71
2024/20251.872 49 152 53 118 175 56 88 148 107 229 235 462
2025/20264.212 417 367 394 427 354 198 617 183 429 278 548 0
Totale 9.205