CINECA IRIS Institutional Research Information System

GRANUCCI, GIOVANNI
 Distribuzione geografica
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Continente #
NA - Nord America 5.897
EU - Europa 1.975
AS - Asia 1.502
SA - Sud America 131
AF - Africa 63
OC - Oceania 5
Continente sconosciuto - Info sul continente non disponibili 2
Totale 9.575
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Nazione #
US - Stati Uniti d'America 5.774
CN - Cina 683
IT - Italia 632
SE - Svezia 479
SG - Singapore 384
BG - Bulgaria 217
DE - Germania 150
CA - Canada 118
BR - Brasile 117
VN - Vietnam 117
RU - Federazione Russa 115
TR - Turchia 113
HK - Hong Kong 107
FI - Finlandia 86
GB - Regno Unito 80
UA - Ucraina 77
IN - India 46
SN - Senegal 40
CH - Svizzera 27
ES - Italia 25
FR - Francia 23
BE - Belgio 14
GR - Grecia 13
KR - Corea 13
CI - Costa d'Avorio 10
JP - Giappone 9
AT - Austria 8
AR - Argentina 6
NL - Olanda 6
HR - Croazia 5
IE - Irlanda 5
BJ - Benin 4
IL - Israele 4
MA - Marocco 4
NZ - Nuova Zelanda 4
UZ - Uzbekistan 4
EC - Ecuador 3
IQ - Iraq 3
BD - Bangladesh 2
EG - Egitto 2
EU - Europa 2
JM - Giamaica 2
NP - Nepal 2
PL - Polonia 2
RO - Romania 2
TW - Taiwan 2
VE - Venezuela 2
AE - Emirati Arabi Uniti 1
AM - Armenia 1
AU - Australia 1
AZ - Azerbaigian 1
BN - Brunei Darussalam 1
BO - Bolivia 1
CO - Colombia 1
CR - Costa Rica 1
CZ - Repubblica Ceca 1
DK - Danimarca 1
DO - Repubblica Dominicana 1
DZ - Algeria 1
EE - Estonia 1
GE - Georgia 1
HU - Ungheria 1
ID - Indonesia 1
IR - Iran 1
JO - Giordania 1
KE - Kenya 1
KW - Kuwait 1
KZ - Kazakistan 1
MD - Moldavia 1
MY - Malesia 1
NO - Norvegia 1
PE - Perù 1
PH - Filippine 1
PT - Portogallo 1
RS - Serbia 1
SK - Slovacchia (Repubblica Slovacca) 1
SV - El Salvador 1
TM - Turkmenistan 1
TN - Tunisia 1
Totale 9.575
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Città #
Fairfield 747
Woodbridge 655
Ann Arbor 453
Houston 430
Santa Clara 420
Chandler 406
Ashburn 330
Seattle 329
Cambridge 280
Wilmington 258
Shanghai 227
Sofia 217
Milan 175
Beijing 165
New York 161
Singapore 140
Serra 120
Ottawa 111
Boardman 103
Princeton 101
Hong Kong 98
Jacksonville 91
Lawrence 89
Medford 87
Izmir 83
Nanjing 70
Des Moines 57
Dakar 40
San Diego 35
Council Bluffs 34
Boulder 31
Dong Ket 31
Nanchang 31
Istanbul 29
Ogden 27
Redwood City 27
Pune 24
Bern 21
Falls Church 21
Pisa 20
Livorno 19
Rome 17
Kunming 16
Los Angeles 16
Dearborn 15
Madrid 15
Norwalk 15
Brussels 14
Changsha 14
Colle Di Val D'elsa 14
Jüchen 12
Potsdam 12
São Paulo 12
Hebei 11
Abidjan 10
Fuzhou 10
Hyderabad 10
Jiaxing 10
Scuola 10
Shenyang 9
Helsinki 8
Würzburg 8
Cagliari 7
Hefei 7
Tianjin 7
Guangzhou 6
Hangzhou 6
Lappeenranta 6
Marseille 6
Ravenna 6
Washington 6
Jinan 5
London 5
Quanzhou 5
San Francisco 5
Vienna 5
Zagreb 5
Auckland 4
Bologna 4
Bremen 4
Cascina 4
Cotonou 4
Dublin 4
Florence 4
Lucca 4
Modena 4
Orange 4
Rio de Janeiro 4
Tashkent 4
Tokyo 4
Vicopisano 4
Wuhan 4
Auburn Hills 3
Dortmund 3
Edinburgh 3
Foligno 3
Fortaleza 3
Goiânia 3
Lanzhou 3
Manaus 3
Totale 7.222
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Nome #
Decoding the molecular basis for the population mechanism of the triplet phototoxic precursors in UVA light-activated pyrimidine anticancer drugs 211
Diabatization by localization in the framework of configuration interaction based on floating occupation molecular orbitals (FOMO-CI). 207
Potential energy surfaces for the HBr+ + CO2 → Br + HOCO+ reaction in the HBr+ 2Π3/2 and 2Π1/2 spin-orbit states 176
Theoretical study of the chemiluminescence of the Al + H2O reaction 167
The Electronic Mean-Field Configuration Interaction method: II - Improving Guess Geminals 155
Can Azobenzene Photoisomerize When Chemisorbed on a Gold Surface? An Analysis of Steric Effects Based on Nonadiabatic Dynamics Simulations 155
Testing new chromophores for singlet fission: A computational protocol applied to 2,3-diamino-1,4-benzoquinone 151
An overview of nonadiabatic dynamics simulations methods, with focus on the direct approach versus the fitting of potential energy surfaces 146
Azobenzene as a photoregulator covalently attached to RNA: a quantum mechanics/molecular mechanics-surface hopping dynamics study 141
Nonadiabatic dynamics simulations of singlet fission in 2,5-bis(fluorene-9-ylidene)-2,5-dihydrothiophene crystals 138
Conical intersections in solution: a QM/MM study using floating occupation semiempirical configuration interaction wave functions 137
Competing ultrafast intersystem crossing and internal conversion: a time resolved picture for the deactivation of 6-thioguanine 134
Photodynamics and time resolved fluorescence of azobenzene in solution: A mixed quantum-classical simulation 133
Dynamics of acetone photodissociation: a surface hopping study 132
Photoisomerization of Self-Assembled Monolayers of Azobiphenyls: Simulations Highlight the Role of Packing and Defects 127
Computational study of the excited states of bilirubin IX 126
Interplay of radiative and nonradiative transitions in surface hopping with radiation-molecule interactions 126
Manipulating azobenzene photoisomerization through strong light-molecule coupling 126
New theoretical ideas for an old problem: excited state proton transfer in solution 125
A theoretical investigation of excited state acidity of phenol and cyanophenols 124
The energetics of fragmentation of the naphthalene cation 122
Energy Selection in Nonadiabatic Transitions 121
Strong Coupling with Light Enhances the Photoisomerization Quantum Yield of Azobenzene 119
Surface hopping investigation of benzophenone excited state dynamics 115
Delocalization effects in singlet fission: Comparing models with two and three interacting molecules 115
The photo-orientation of azobenzene in viscous solutions, simulated by a stochastic model 106
The photoisomerization of a peptidic derivative of azobenzene: a nonadiabatic dynamics simulation of a supramolecular system 105
Newton-X: a surface-hopping program for nonadiabatic molecular dynamics 104
Photochemistry in the strong coupling regime: A trajectory surface hopping scheme 102
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Intermolecular photochemical proton transfer in solution: new insights and perspectives 99
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Photochemistry. A modern theoretical perspective 98
Electronic structure, vibrational spectrum and photochemistry of the Fe+H2 system 97
Dynamics of Azobenzene Dimer Photoisomerization: Electronic and Steric Effects 97
Direct semiclassical simulation of photochemical processes with semiempirical wavefunctions 96
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Surface hopping dynamics of direct trans -> cis photoswitching of an azobenzene derivative in constrained adsorbate geometries 95
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Photodynamics of azobenzene in a hindering environment 92
Rabi oscillations in the dissociative continuum: rotation and alignment effects 90
A Theoretical Study for the Valence-Rydberg Interaction in Diatomic Molecules. Application to the NO beta Band System 89
Quantum mechanical and semiclassical dynamics at a conical intersection 89
The photoisomerization mechanism of azobenzene: a semiclassical simulation of nonadiabatic dynamics 87
Stochastic model for photoinduced anisotropy 87
Electronic structure of compounds with Fe-C bonds 85
Multiscale Models for Light-Driven Processes 83
Quantum and semiclassical dynamics of the Franck-Condon wave packet on the coupled potential surfaces of the X2A'/A2A' conical intersection 82
Photodissociation dynamics of chlorine peroxide adsorbed on ice 82
Photodissociation of formic acid. A trajectory surface hopping study 82
The on-the-fly surface-hopping program system Newton-X: application to ab initio simulation of the nonadiabatic photodynamics of benchmark systems 82
Nonadiabatic transitions and interference in photodissociation dynamics 79
Singlet fission in covalent dimers of methylene-locked 1,3-diphenyl-isobenzofuran: semiclassical simulations of nonadiabatic dynamics 79
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Photoisomerization dynamics of spiropyran: A surface-hopping investigation 72
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Surface Hopping Dynamics with the Frenkel Exciton Model in a Semiempirical Framework 71
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The Quantum Decoherence Problem in Nonadiabatic Trajectory Methods 66
Computational design of singlet fission biradicaloid chromophores 66
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Photochemistry in condensed phase 61
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Absorption oscillator strengths for vibronic transitions of npp Rydberg series in NO 60
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Surface Hopping Dynamics for Azobenzene Photoisomerization: Effects of Packing Density on Surfaces, Fluorination, and Excitation Wavelength 59
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Protein control of photochemistry and transient intermediates in phytochromes 52
Coherent excitation of wavepackets in two electronic states. Interference effects at an avoided crossing. 52
Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles 48
Computational design of covalently bound dimers for singlet fission 47
A surface hopping study of energy transfer in Na+Cd* collisions 46
A chemical application of the algebraic concept of internal space 46
Non-coulombic states of N2(4+) and O2(4+) ions probed by laser-induced multi-ionization of N2 and O2 46
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Oscillator strength and polarization of the forbidden n-->pi* band of trans-azobenzene. A computational study 44
Ultrafast Excited-State Dynamics of Carotenoids and the Role of the SX State 43
Effect of Initial Conditions Sampling on Surface Hopping Simulations in the Ultrashort and Picosecond Time Range. Azomethane Photodissociation as a Case Study 42
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Molecular gradients for semiempirical CI wavefunctions with floating occupation molecular orbitals 42
Alignment of molecules in pulsed resonant laser fields 40
Benzene-O2 interaction potential from ab initio calculations 39
Totale 8.877
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Categoria #
all - tutte 28.118
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 28.118
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020522 0 0 0 0 0 0 0 0 174 170 138 40
2020/20211.042 70 55 42 38 108 129 44 102 125 97 75 157
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
2024/20251.608 5 127 17 147 305 283 347 189 188 0 0 0
Totale 9.825