IRIS Institutional Research Information System - AIR Archivio Istituzionale della Ricerca

CEOTTO, MICHELE
 Distribuzione geografica
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Continente #
NA - Nord America 11.241
AS - Asia 9.894
EU - Europa 9.019
SA - Sud America 926
AF - Africa 241
OC - Oceania 28
Continente sconosciuto - Info sul continente non disponibili 10
Totale 31.359
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Nazione #
US - Stati Uniti d'America 10.968
CN - Cina 3.028
SG - Singapore 2.992
IT - Italia 2.351
GB - Regno Unito 2.017
HK - Hong Kong 995
SE - Svezia 929
DE - Germania 823
RU - Federazione Russa 818
BR - Brasile 701
VN - Vietnam 644
FR - Francia 545
BD - Bangladesh 519
IN - India 487
NL - Olanda 330
KR - Corea 269
IE - Irlanda 265
FI - Finlandia 229
ID - Indonesia 201
TR - Turchia 191
JP - Giappone 159
UA - Ucraina 154
CA - Canada 143
CH - Svizzera 132
DK - Danimarca 90
CI - Costa d'Avorio 89
MX - Messico 78
ES - Italia 68
PH - Filippine 68
PL - Polonia 61
EU - Europa 58
IQ - Iraq 57
AR - Argentina 56
CO - Colombia 53
ZA - Sudafrica 52
BE - Belgio 36
TW - Taiwan 36
GR - Grecia 35
AT - Austria 32
PK - Pakistan 28
SA - Arabia Saudita 26
VE - Venezuela 26
MA - Marocco 25
AU - Australia 24
MY - Malesia 24
PY - Paraguay 21
IL - Israele 20
EC - Ecuador 19
AE - Emirati Arabi Uniti 18
CZ - Repubblica Ceca 18
UZ - Uzbekistan 17
PE - Perù 16
IR - Iran 15
NP - Nepal 15
CL - Cile 13
PT - Portogallo 12
TN - Tunisia 12
UY - Uruguay 11
DZ - Algeria 10
JO - Giordania 10
KE - Kenya 10
NO - Norvegia 10
SC - Seychelles 10
TH - Thailandia 10
AZ - Azerbaigian 9
JM - Giamaica 9
BO - Bolivia 8
CR - Costa Rica 8
EG - Egitto 8
KG - Kirghizistan 8
KZ - Kazakistan 8
AL - Albania 7
LT - Lituania 7
LU - Lussemburgo 7
NG - Nigeria 6
RO - Romania 6
RS - Serbia 6
BG - Bulgaria 5
ET - Etiopia 5
HN - Honduras 5
LK - Sri Lanka 5
MD - Moldavia 5
PA - Panama 5
BB - Barbados 4
BH - Bahrain 4
DO - Repubblica Dominicana 4
EE - Estonia 4
GT - Guatemala 4
HR - Croazia 4
LB - Libano 4
NI - Nicaragua 4
PS - Palestinian Territory 4
RW - Ruanda 4
SK - Slovacchia (Repubblica Slovacca) 4
SY - Repubblica araba siriana 4
HU - Ungheria 3
KH - Cambogia 3
MN - Mongolia 3
NZ - Nuova Zelanda 3
OM - Oman 3
Totale 31.369
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Città #
Singapore 1.630
Southend 1.620
Ashburn 1.400
Milan 996
Hong Kong 906
San Jose 801
Chandler 760
Fairfield 525
Beijing 493
Santa Clara 441
Council Bluffs 425
Seattle 411
Wilmington 361
Dallas 339
Princeton 329
Los Angeles 307
Woodbridge 278
Dublin 264
Cambridge 247
Hefei 243
Houston 231
Munich 224
Ann Arbor 197
Ho Chi Minh City 186
Lauterbourg 183
Bengaluru 177
Dearborn 169
New York 166
Brescia 155
Jakarta 155
Moscow 155
Hanoi 146
Frankfurt am Main 144
Seoul 138
Nanjing 135
Buffalo 131
Guangzhou 130
Mountain View 126
Boardman 124
Des Moines 120
Phoenix 115
Shanghai 96
Redmond 94
Abidjan 89
Helsinki 87
Medford 84
Rome 84
Hangzhou 82
Jacksonville 81
The Dalles 77
Redwood City 73
Columbus 71
Tokyo 71
Sunnyvale 67
Istanbul 66
São Paulo 65
Jinan 59
Tianjin 54
Shenzhen 50
Chicago 48
Shenyang 48
Somerville 48
Berlin 47
Andover 46
San Diego 45
Cangzhou 44
Lappeenranta 44
London 44
Da Nang 41
Paris 41
Changsha 40
Fuzhou 40
Sakarya 39
Atlanta 36
Bogotá 36
Zurich 36
Serra 34
Wuhan 34
Nanchang 32
Warsaw 32
Falls Church 31
Hebei 31
Kyoto 31
Lausanne 31
Johannesburg 30
Toronto 30
Zhengzhou 30
Catania 29
Haiphong 29
Basingstoke 28
Madison 28
Orem 28
Washington 28
Boston 27
Brussels 27
Montreal 26
Naples 26
Denver 25
Nuremberg 25
Stockholm 25
Totale 18.853
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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 532
First principles semiclassical calculations of vibrational eigenfunctions 364
Unraveling the cooperative mechanism of visible-light absorption in bulk N,Nb codoped TiO2 powders of nanomaterials 316
A Close Look at the Structure of the TiO2 ‑APTES Interface in Hybrid Nanomaterials and Its Degradation Pathway : An Experimental and Theoretical Study 291
The silver nanoparticles/TiO2 interface: a combined electrochemical and theoretical investigation 283
Summer school Marinella Ferrari. Energia verde : dal mirtillo alla corrente elettrica : sfruttiamo l’energia del sole con le celle fotovoltaiche di Grätzel 281
Towards the understanding of structure-properties relationships in N,Nb doped TiO2 nanopowders: a multidisciplinary experimental and DFT approach 272
"Divide and conquer" semiclassical molecular dynamics : A practical method for spectroscopic calculations of high dimensional molecular systems 272
Semiclassical Initial Value Representation Molecular Dynamics for Spectroscopy 272
Anharmonic calculations of vibrational spectra for molecular adsorbates: A divide-and-conquer semiclassical molecular dynamics approach 269
Progettazione di nuovi materiali per l'abbattimento di inquinanti : Come proteggere i nostri monumenti 266
An effective semiclassical approach to IR spectroscopy 264
Semiclassical Molecular Dynamics : a useful Tool for Spectroscopic Interpretation 252
Semiclassical vibrational spectroscopy with Hessian databases 249
Mixed semiclassical initial value representation time-averaging propagator for spectroscopic calculations 249
Semiclassical molecular dynamics for spectroscopic calculations of high dimensional and condensed phase molecular systems 245
Fighting the curse of dimensionality in first-principles semiclassical calculations : Non-local reference states for large number of dimensions 241
Anharmonic vibrational eigenfunctions and infrared spectra from semiclassical molecular dynamics 241
Anharmonic quantum nuclear densities from full dimensional vibrational eigenfunctions with application to protonated glycine 241
First-principles semiclassical initial value representation molecular dynamics 240
About the nitrogen location in nanocrystalline N-Doped TiO2: combined DFT and EXAFS approach 239
Reduced rovibrational coupling Cartesian dynamics for semiclassical calculations: Application to the spectrum of the Zundel cation 238
An efficient computational approach for the calculation of the vibrational density of states 234
Protonated glycine supramolecular systems: The need for quantum dynamics 234
Deep nuclear resonant tunneling thermal rate constant calculations 231
Impregnation versus Bulk Synthesis : How the Synthetic Route Affects the Photocatalytic Efficiency of Nb/Ta:N Codoped TiO2 Nanomaterials 228
On-the-Fly ab Initio Semiclassical Calculation of Glycine Vibrational Spectrum 227
A Novel Route For Preparation Of Transparent, Mechanically Robust And Photoactive Titania Films 226
Semiclassical vibrational spectroscopy from small molecules to solvated biomolecules 224
Semiclassical Vibrational Spectroscopy of Biological Molecules Using Force Fields 222
Quantum Anharmonic Calculations of Vibrational Spectra for Water Adsorbed on Titania Anatase(101) Surface: Dissociative versus Molecular Adsorption 219
An Efficient Computational Approach for the Calculation of the Vibrational Density of States 218
Vibrational investigation of nucleobases by means of divide and conquer semiclassical dynamics 217
Anharmonicity and quantum nuclear effects in theoretical vibrational spectroscopy: A molecular tale of two cities 216
Semiclassical "divide-and-Conquer" Method for Spectroscopic Calculations of High Dimensional Molecular Systems 215
Atomistic Explanation for Interlayer Charge Transfer in Metal-Semiconductor Nanocomposites : the Case of Silver and Anatase 211
Simplified approach to the mixed time-averaging semiclassical initial value representation for the calculation of dense vibrational spectra 211
Semiclassical Molecular Dynamics and its Implementation for Spectroscopic Calculations of High Dimensional and Condensed Phase Molecular Systems 211
Representing molecular ground and excited vibrational eigenstates with nuclear densities obtained from semiclassical initial value representation molecular dynamics 211
Multiple coherent states semiclassical initial value representation spectra calculations of lateral interactions for CO on Cu(100) 209
Application of the mixed time-averaging semiclassical initial value representation method to complex molecular spectra 208
“Divide-and-conquer” semiclassical molecular dynamics : An application to water clusters 208
Wettability of bare and fluorinated silanes :aA combined approach based on surface free energy evaluations and dipole moment calculations 207
Semiclassical Molecular Dynamics for Spectroscopic Calculations of Complex Systems 206
A Concerted Electrochemical and Theoretical Investigation of the Ag/TiO2 nano-heterojunction 206
Sensitivity of semiclassical vibrational spectroscopy to potential energy surface accuracy: A test on formaldehyde. 206
Accurate and efficient pre-exponential factor approximations for the semiclassical initial value representation propagator 203
Divide-and-Conquer Semiclassical Dynamics: A Viable Method for Vibrational Spectra Calculations of High Dimensional and Anharmonic Molecular Systems 202
Kinetics versus thermodynamics in the proline catalyzed aldol reaction 200
Semiclassical Methods for Spectroscopic Calculations of High Dimensional Molecular Systems 200
Multiple coherent states for first-principles semiclassical initial value representation molecular dynamics 198
Improved semiclassical dynamics through adiabatic switching trajectory sampling 198
Doped Titania Nanocrystals Explained By Experimental And DFT Characterizations 197
The importance of the pre-exponential factor in semiclassical molecular dynamics 197
Direct measurement and modeling of spontaneous charge migration across anatase–brookite nanoheterojunctions 196
Caldeira–Leggett model vs ab initio potential: A vibrational spectroscopy test of water solvation 195
How many water molecules are needed to solvate one? 194
How many water molecules are needed to solvate one? 193
Accelerated direct semiclassical molecular dynamics using a compact finite difference Hessian scheme 191
Divide-and-Conquer Semiclassical Dynamics: A Viable Route for Spectroscopic Calculations of High Dimensional Molecular Systems 191
A quantum mechanical insight into S(N)2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl-center dot center dot center dot CH3Cl pre-reaction complex with the VENUS suite of codes 188
Fighting the curse of dimensionality with semiclassical approaches in reaction rate theory 185
Parallel Implementation of Semiclassical Transition State Theory and its application to high-dimensional tunneling reactions 185
Second generation photocatalysts by metal and nitrogen codoping. The role of Ta and Nb. 184
From anharmonicity to Nuclear Quantum Effects in medium and large sized molecular systems 182
A Perspective on the Investigation of Spectroscopy and Kinetics of Complex Molecular Systems with Semiclassical Approaches 181
Electronic structure of Pure and N-doped TiO2 Nanocrystals by Electrochemical Experiments and First Principles Calculations 179
How many water molecules are needed to solvate one? 179
Vibrational Spectroscopy Through Time Averaged Fourier Transform of Autocorrelated Molecular Dynamics Data: Introducing the Free SEMISOFT Web‐Platform 178
Role of the Nitrogen Source in Determining Structure and Morphology of N-Doped Nanocrystalline TiO2 177
Surface Free Energy of Bare and Fluorinated Siloxanes: Comparing Experimental Evaluation and Dipole Moments Calculations 175
Herman-Kluk propagator is free from zero-point energy leakage 175
A time averaged semiclassical approach to IR spectroscopy 174
Parallel Implementation of Anharmonic Constants to Speedup Semiclassical Transition State Theory Rate Constant Calculations 174
Semiclassical Molecular Dynamics for Spectroscopic Calculations 174
Heavy Atom Tunneling in Organic Reactions at Coupled Cluster Potential Accuracy with a Parallel Implementation of Anharmonic Constant Calculations and Semiclassical Transition State Theory 173
Vibrational spectroscopy simulation of solvation effects on the g-quadruplex 172
Test of the quantum instanton approximation for thermal rate constants for some collinear reactions 172
Quantum Mechanical Methods for Spectroscopic Calculations of High Dimensional Molecular Systems 172
Role of Pr on the semiconductor properties of nanotitania : an experimental and first-principles investigation 169
Doped nano-titania: theoretical insight into structure-property relationships 169
A quantum method for thermal rate constant calculations from stationary phase approximation of the thermal flux-flux correlation function integral 169
The first HyDRA challenge for computational vibrational spectroscopy 168
Parallel Implementation of Semiclassical Transition State Theory 168
Insight into charge carriers recombination in doped titania films using photocurrent measurements 167
Doped and undoped titania nanocrystals : theoretical bottom-up approach vs. experimental flatband potential studies 166
Oxygen Vacancies in the Spotlight: On the Engineering of Intrinsic Defects in Highly Defective Tio2 Photocatalysts 163
Zwitter Ionization of Glycine at Outer Space Conditions due to Microhydration by Six Water Molecules 163
Quantum instanton approximation for thermal rate constants of chemical reactions 162
Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine 161
Charge-transfer effects in the gas-phase protonation of ozone: Locating the conical intersections 161
Oxygen vacancies and nonmetal dopant species in anatase TiO2: A lesson learned? 160
Semiclassical description of nuclear quantum effects in solvated and condensed phase molecular systems 159
Anharmonic calculations of vibrational spectra for molecular adsorbates : A divide-and-conquer semiclassical molecular dynamics approach 159
Protonated ozone: structure, energetics, and nonadiabatic effects 158
Investigating molecular quantum vibrational frequencies with semiclassical dynamics: theory and application to systems of astrochemical interest 158
Gas-phase proton affinity of ozone : a computational test of the experimental mechanism 156
Vibration-assisted tunneling : a semiclassical instanton approach 156
Internal coordinate couplings and symmetry properties: The search of a conical seam in protonated oxygen 155
A quantum approximate method for the calculation of thermal reaction rate constants 155
Totale 20.858
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Categoria #
all - tutte 88.552
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 88.552
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021148 0 0 0 0 0 0 0 0 0 0 0 148
2021/20222.177 222 131 60 123 194 180 156 109 145 162 174 521
2022/20232.798 375 309 256 284 238 512 76 174 262 50 175 87
2023/20241.878 82 126 110 104 322 120 70 305 76 128 178 257
2024/20255.402 159 488 130 434 557 236 199 541 303 499 551 1.305
2025/202611.778 983 778 1.044 1.150 1.074 682 1.499 593 1.355 894 1.234 492
Totale 32.926