CINECA IRIS Institutional Research Information System

GRANUCCI, GIOVANNI
 Distribuzione geografica
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Continente #
NA - Nord America 7.772
AS - Asia 3.841
EU - Europa 2.477
SA - Sud America 643
AF - Africa 146
OC - Oceania 6
Continente sconosciuto - Info sul continente non disponibili 3
Totale 14.888
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Nazione #
US - Stati Uniti d'America 7.564
SG - Singapore 1.202
CN - Cina 1.000
IT - Italia 722
HK - Hong Kong 630
BR - Brasile 514
SE - Svezia 483
VN - Vietnam 321
BG - Bulgaria 219
DE - Germania 215
FR - Francia 177
CA - Canada 145
GB - Regno Unito 139
TR - Turchia 135
IN - India 130
RU - Federazione Russa 129
FI - Finlandia 105
KR - Corea 98
UA - Ucraina 87
JP - Giappone 65
BD - Bangladesh 61
AR - Argentina 49
ES - Italia 41
SN - Senegal 41
SA - Arabia Saudita 31
CH - Svizzera 30
IQ - Iraq 28
ZA - Sudafrica 23
AT - Austria 21
VE - Venezuela 21
MX - Messico 20
CO - Colombia 19
NL - Olanda 18
PL - Polonia 18
EC - Ecuador 17
PK - Pakistan 16
BE - Belgio 15
MA - Marocco 15
UZ - Uzbekistan 15
GR - Grecia 13
AE - Emirati Arabi Uniti 12
CI - Costa d'Avorio 10
EG - Egitto 10
ID - Indonesia 10
JO - Giordania 10
KE - Kenya 10
MY - Malesia 9
DZ - Algeria 8
IE - Irlanda 8
IL - Israele 8
JM - Giamaica 8
PH - Filippine 8
PY - Paraguay 8
KZ - Kazakistan 7
TN - Tunisia 7
CZ - Repubblica Ceca 6
ET - Etiopia 6
LB - Libano 6
AL - Albania 5
BB - Barbados 5
CL - Cile 5
GT - Guatemala 5
HR - Croazia 5
NP - Nepal 5
PE - Perù 5
TT - Trinidad e Tobago 5
BJ - Benin 4
CR - Costa Rica 4
KW - Kuwait 4
MD - Moldavia 4
NZ - Nuova Zelanda 4
TH - Thailandia 4
TW - Taiwan 4
AM - Armenia 3
AZ - Azerbaigian 3
BH - Bahrain 3
PA - Panama 3
RO - Romania 3
RS - Serbia 3
SV - El Salvador 3
AO - Angola 2
AU - Australia 2
BO - Bolivia 2
BS - Bahamas 2
BY - Bielorussia 2
DO - Repubblica Dominicana 2
EU - Europa 2
GA - Gabon 2
HN - Honduras 2
IR - Iran 2
KG - Kirghizistan 2
SK - Slovacchia (Repubblica Slovacca) 2
UG - Uganda 2
UY - Uruguay 2
AG - Antigua e Barbuda 1
BA - Bosnia-Erzegovina 1
BN - Brunei Darussalam 1
BW - Botswana 1
BZ - Belize 1
CD - Congo 1
Totale 14.866
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Città #
Fairfield 747
Ashburn 703
Singapore 691
Woodbridge 656
Hong Kong 613
Ann Arbor 453
Santa Clara 439
Houston 434
Chandler 406
San Jose 352
Dallas 334
Seattle 330
Cambridge 280
Wilmington 258
Shanghai 230
Beijing 226
Sofia 217
Milan 179
New York 177
Boardman 133
Los Angeles 122
Serra 122
Ottawa 112
Princeton 101
Hefei 95
Jacksonville 91
Lawrence 89
Medford 88
Izmir 84
Lauterbourg 81
Seoul 73
Nanjing 70
Ho Chi Minh City 69
Des Moines 57
Tokyo 55
Hanoi 54
Council Bluffs 50
Columbus 43
Dakar 41
Redondo Beach 41
São Paulo 41
Buffalo 39
Istanbul 36
San Diego 36
Boulder 31
Dong Ket 31
Nanchang 31
Pisa 31
The Dalles 31
Marseille 29
Rome 29
Ogden 27
Redwood City 27
Pune 25
Bern 21
Falls Church 21
Dhaka 19
Livorno 19
Madrid 18
Florence 17
Helsinki 17
Kunming 16
Munich 16
Rio de Janeiro 16
Vienna 16
Brussels 15
Dearborn 15
Frankfurt am Main 15
Norwalk 15
Changsha 14
Colle Di Val D'elsa 14
Jeddah 14
Brasília 13
Chicago 13
London 13
Denver 12
Hyderabad 12
Jüchen 12
Orem 12
Potsdam 12
Tashkent 12
Warsaw 12
Hebei 11
Lappeenranta 11
Abidjan 10
Cagliari 10
Chennai 10
Düsseldorf 10
Fuzhou 10
Jiaxing 10
Montreal 10
Porto Alegre 10
Scuola 10
Shenyang 10
Amman 9
Amsterdam 9
Dortmund 9
Tianjin 9
Brooklyn 8
Mumbai 8
Totale 10.435
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Nome #
Diabatization by localization in the framework of configuration interaction based on floating occupation molecular orbitals (FOMO-CI). 279
Decoding the molecular basis for the population mechanism of the triplet phototoxic precursors in UVA light-activated pyrimidine anticancer drugs 261
Potential energy surfaces for the HBr+ + CO2 → Br + HOCO+ reaction in the HBr+ 2Π3/2 and 2Π1/2 spin-orbit states 257
An overview of nonadiabatic dynamics simulations methods, with focus on the direct approach versus the fitting of potential energy surfaces 209
Theoretical study of the chemiluminescence of the Al + H2O reaction 208
Testing new chromophores for singlet fission: A computational protocol applied to 2,3-diamino-1,4-benzoquinone 208
Nonadiabatic dynamics simulations of singlet fission in 2,5-bis(fluorene-9-ylidene)-2,5-dihydrothiophene crystals 201
The Electronic Mean-Field Configuration Interaction method: II - Improving Guess Geminals 200
Azobenzene as a photoregulator covalently attached to RNA: a quantum mechanics/molecular mechanics-surface hopping dynamics study 199
The Quantum Decoherence Problem in Nonadiabatic Trajectory Methods 196
Conical intersections in solution: a QM/MM study using floating occupation semiempirical configuration interaction wave functions 191
Can Azobenzene Photoisomerize When Chemisorbed on a Gold Surface? An Analysis of Steric Effects Based on Nonadiabatic Dynamics Simulations 189
Strong Coupling with Light Enhances the Photoisomerization Quantum Yield of Azobenzene 188
Dynamics of acetone photodissociation: a surface hopping study 183
Photodynamics and time resolved fluorescence of azobenzene in solution: A mixed quantum-classical simulation 182
Photochemistry. A modern theoretical perspective 182
The energetics of fragmentation of the naphthalene cation 181
Energy Selection in Nonadiabatic Transitions 180
Delocalization effects in singlet fission: Comparing models with two and three interacting molecules 177
New theoretical ideas for an old problem: excited state proton transfer in solution 176
Computational study of the excited states of bilirubin IX 168
A theoretical investigation of excited state acidity of phenol and cyanophenols 168
Competing ultrafast intersystem crossing and internal conversion: a time resolved picture for the deactivation of 6-thioguanine 164
Singlet fission in covalent dimers of methylene-locked 1,3-diphenyl-isobenzofuran: semiclassical simulations of nonadiabatic dynamics 163
Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles 162
Interplay of radiative and nonradiative transitions in surface hopping with radiation-molecule interactions 160
Manipulating azobenzene photoisomerization through strong light-molecule coupling 160
Intermolecular photochemical proton transfer in solution: new insights and perspectives 158
Photoisomerization of Self-Assembled Monolayers of Azobiphenyls: Simulations Highlight the Role of Packing and Defects 157
Dynamics of Azobenzene Dimer Photoisomerization: Electronic and Steric Effects 151
Computational design of covalently bound dimers for singlet fission 149
Newton-X: a surface-hopping program for nonadiabatic molecular dynamics 149
The photoisomerization of a peptidic derivative of azobenzene: a nonadiabatic dynamics simulation of a supramolecular system 148
Photochemistry in the strong coupling regime: A trajectory surface hopping scheme 148
Investigating the Photodynamics of trans-Azobenzene with Coupled Trajectories 147
Multiscale Models for Light-Driven Processes 147
Stochastic model for photoinduced anisotropy 146
Surface hopping investigation of benzophenone excited state dynamics 146
The photo-orientation of azobenzene in viscous solutions, simulated by a stochastic model 145
Surface hopping dynamics of direct trans -> cis photoswitching of an azobenzene derivative in constrained adsorbate geometries 141
Photodynamics of azobenzene in a hindering environment 138
The on-the-fly surface-hopping program system Newton-X: application to ab initio simulation of the nonadiabatic photodynamics of benchmark systems 138
The photoisomerization mechanism of azobenzene: a semiclassical simulation of nonadiabatic dynamics 135
Electronic structure, vibrational spectrum and photochemistry of the Fe+H2 system 134
Protein control of photochemistry and transient intermediates in phytochromes 133
Rabi oscillations in the dissociative continuum: rotation and alignment effects 133
A Theoretical Study for the Valence-Rydberg Interaction in Diatomic Molecules. Application to the NO beta Band System 133
Direct semiclassical simulation of photochemical processes with semiempirical wavefunctions 131
Photoisomerization dynamics of spiropyran: A surface-hopping investigation 131
Surface Hopping Dynamics with the Frenkel Exciton Model in a Semiempirical Framework 129
Ultrafast excited-state dynamics of Luteins in the major light-harvesting complex LHCII 129
Quantum mechanical and semiclassical dynamics at a conical intersection 128
Photodissociation dynamics of chlorine peroxide adsorbed on ice 127
Nonadiabatic transitions and interference in photodissociation dynamics 124
Computational design of singlet fission biradicaloid chromophores 122
Quantum and semiclassical dynamics of the Franck-Condon wave packet on the coupled potential surfaces of the X2A'/A2A' conical intersection 121
Electronic structure of compounds with Fe-C bonds 117
Dual photoisomerization mechanism of azobenzene embedded in a lipid membrane 116
Photodissociation of formic acid. A trajectory surface hopping study 116
Photochemistry in condensed phase 112
Surface Hopping Dynamics for Azobenzene Photoisomerization: Effects of Packing Density on Surfaces, Fluorination, and Excitation Wavelength 112
Non-coulombic states of N2(4+) and O2(4+) ions probed by laser-induced multi-ionization of N2 and O2 104
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Effect of Initial Conditions Sampling on Surface Hopping Simulations in the Ultrashort and Picosecond Time Range. Azomethane Photodissociation as a Case Study 98
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Absorption oscillator strengths for vibronic transitions of npp Rydberg series in NO 98
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A chemical application of the algebraic concept of internal space 95
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Coherent excitation of wavepackets in two electronic states. Interference effects at an avoided crossing. 93
Frenkel exciton photodynamics of self-assembled monolayers of azobiphenyls 92
Sampling initial positions and momenta for nuclear trajectories from quantum mechanical distributions 90
Photoisomerization of Spiropyran in Solution: A Surface Hopping Investigation 89
Ultrafast Excited-State Dynamics of Carotenoids and the Role of the SX State 88
Surface hopping trajectory simulations with spin-orbit and dynamical couplings 86
A surface hopping study of energy transfer in Na+Cd* collisions 83
An algorithm for very high pressure molecular dynamics simulations 80
Semiempirical hamiltonian for simulation of azobenzene photochemistry 80
Molecular gradients for semiempirical CI wavefunctions with floating occupation molecular orbitals 79
Critical appraisal of the fewest switches algorithm for surface hopping 77
Oscillator strength and polarization of the forbidden n-->pi* band of trans-azobenzene. A computational study 77
Alignment of molecules in pulsed resonant laser fields 76
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The radiative surface hopping (RSH) algorithm: Capturing fluorescence events in molecular systems within a semi-classical non-adiabatic molecular dynamics framework 74
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Excitonic Approach for Nonadiabatic Dynamics: Extending Beyond the Frenkel Exciton Model 73
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Surface hopping dynamics using a locally diabatic formalism: charge transfer in the ethylene dimer cation and excited state dynamics in the 2-pyridone dimer. 68
Derivation of an optimized potential model for phase equilibria (OPPE) for sulfides and thiols 68
QM/MM connection atoms for the multistate treatment of organic and biological molecules 68
Unveiling the photophysics of thiourea from CASPT2/CASSCF potential energy surfaces and singlet/triplet excited state molecular dynamics simulations 66
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Conformational Dynamics of the Pyrene Excimer 64
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Totale 12.967
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Categoria #
all - tutte 41.305
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 41.305
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021157 0 0 0 0 0 0 0 0 0 0 0 157
2021/20221.168 51 61 34 94 206 192 36 63 67 29 50 285
2022/20231.158 196 151 52 104 115 167 17 91 191 6 59 9
2023/2024817 71 75 89 33 117 172 42 21 21 20 58 98
2024/20253.438 5 127 17 147 305 283 347 189 342 387 343 946
2025/20263.498 144 477 466 240 326 345 578 184 207 324 121 86
Totale 15.153