CINECA IRIS Institutional Research Information System

GRANUCCI, GIOVANNI
 Distribuzione geografica
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Continente #
NA - Nord America 5.836
EU - Europa 1.881
AS - Asia 1.238
AF - Africa 57
SA - Sud America 29
OC - Oceania 5
Continente sconosciuto - Info sul continente non disponibili 2
Totale 9.048
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Nazione #
US - Stati Uniti d'America 5.719
CN - Cina 672
IT - Italia 613
SE - Svezia 479
SG - Singapore 235
BG - Bulgaria 217
DE - Germania 148
CA - Canada 117
VN - Vietnam 116
TR - Turchia 113
FI - Finlandia 84
GB - Regno Unito 80
UA - Ucraina 77
RU - Federazione Russa 55
IN - India 42
SN - Senegal 40
BR - Brasile 28
CH - Svizzera 27
HK - Hong Kong 27
ES - Italia 24
FR - Francia 23
BE - Belgio 13
GR - Grecia 13
KR - Corea 12
CI - Costa d'Avorio 10
JP - Giappone 9
AT - Austria 6
NL - Olanda 6
BJ - Benin 4
HR - Croazia 4
NZ - Nuova Zelanda 4
EU - Europa 2
IE - Irlanda 2
IL - Israele 2
MA - Marocco 2
RO - Romania 2
TW - Taiwan 2
AM - Armenia 1
AU - Australia 1
BN - Brunei Darussalam 1
BO - Bolivia 1
CZ - Repubblica Ceca 1
DK - Danimarca 1
EE - Estonia 1
EG - Egitto 1
HU - Ungheria 1
ID - Indonesia 1
IR - Iran 1
KW - Kuwait 1
MY - Malesia 1
NO - Norvegia 1
NP - Nepal 1
PL - Polonia 1
PT - Portogallo 1
RS - Serbia 1
UZ - Uzbekistan 1
Totale 9.048
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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 219
Sofia 217
Milan 175
Beijing 164
New York 161
Singapore 139
Serra 119
Ottawa 111
Boardman 103
Princeton 101
Jacksonville 91
Lawrence 89
Medford 87
Izmir 83
Nanjing 70
Des Moines 57
Dakar 40
San Diego 35
Boulder 31
Dong Ket 31
Nanchang 31
Istanbul 29
Ogden 27
Redwood City 27
Pune 24
Bern 21
Falls Church 21
Pisa 19
Hong Kong 18
Rome 17
Kunming 16
Dearborn 15
Madrid 15
Norwalk 15
Changsha 14
Colle Di Val D'elsa 14
Brussels 13
Livorno 13
Jüchen 12
Hebei 11
Potsdam 11
Abidjan 10
Fuzhou 10
Jiaxing 10
Los Angeles 10
Scuola 10
Hyderabad 9
Shenyang 9
Würzburg 8
Cagliari 7
Hefei 7
Helsinki 7
Tianjin 7
Guangzhou 6
Hangzhou 6
Marseille 6
Ravenna 6
Washington 6
Jinan 5
Lappeenranta 5
London 5
Quanzhou 5
San Francisco 5
Auckland 4
Bologna 4
Bremen 4
Cotonou 4
Florence 4
Orange 4
Tokyo 4
Vicopisano 4
Vienna 4
Wuhan 4
Zagreb 4
Auburn Hills 3
Council Bluffs 3
Dortmund 3
Edinburgh 3
Foligno 3
Lanzhou 3
Rourkela 3
Scandicci 3
Trieste 3
Xiamen 3
Amsterdam 2
Belfast 2
Bowling Green 2
Daejeon 2
Goiânia 2
Grand Forks 2
Totale 7.059
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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 208
Diabatization by localization in the framework of configuration interaction based on floating occupation molecular orbitals (FOMO-CI). 201
Potential energy surfaces for the HBr+ + CO2 → Br + HOCO+ reaction in the HBr+ 2Π3/2 and 2Π1/2 spin-orbit states 172
Theoretical study of the chemiluminescence of the Al + H2O reaction 166
The Electronic Mean-Field Configuration Interaction method: II - Improving Guess Geminals 152
Can Azobenzene Photoisomerize When Chemisorbed on a Gold Surface? An Analysis of Steric Effects Based on Nonadiabatic Dynamics Simulations 152
Testing new chromophores for singlet fission: A computational protocol applied to 2,3-diamino-1,4-benzoquinone 147
An overview of nonadiabatic dynamics simulations methods, with focus on the direct approach versus the fitting of potential energy surfaces 141
Azobenzene as a photoregulator covalently attached to RNA: a quantum mechanics/molecular mechanics-surface hopping dynamics study 137
Conical intersections in solution: a QM/MM study using floating occupation semiempirical configuration interaction wave functions 133
Competing ultrafast intersystem crossing and internal conversion: a time resolved picture for the deactivation of 6-thioguanine 132
Nonadiabatic dynamics simulations of singlet fission in 2,5-bis(fluorene-9-ylidene)-2,5-dihydrothiophene crystals 132
Photodynamics and time resolved fluorescence of azobenzene in solution: A mixed quantum-classical simulation 130
Dynamics of acetone photodissociation: a surface hopping study 127
Photoisomerization of Self-Assembled Monolayers of Azobiphenyls: Simulations Highlight the Role of Packing and Defects 126
Interplay of radiative and nonradiative transitions in surface hopping with radiation-molecule interactions 125
Computational study of the excited states of bilirubin IX 123
A theoretical investigation of excited state acidity of phenol and cyanophenols 122
Manipulating azobenzene photoisomerization through strong light-molecule coupling 121
The energetics of fragmentation of the naphthalene cation 117
New theoretical ideas for an old problem: excited state proton transfer in solution 114
Energy Selection in Nonadiabatic Transitions 114
Delocalization effects in singlet fission: Comparing models with two and three interacting molecules 111
Surface hopping investigation of benzophenone excited state dynamics 108
Strong Coupling with Light Enhances the Photoisomerization Quantum Yield of Azobenzene 106
The photo-orientation of azobenzene in viscous solutions, simulated by a stochastic model 103
Newton-X: a surface-hopping program for nonadiabatic molecular dynamics 102
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The photoisomerization of a peptidic derivative of azobenzene: a nonadiabatic dynamics simulation of a supramolecular system 97
Intermolecular photochemical proton transfer in solution: new insights and perspectives 96
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Photochemistry. A modern theoretical perspective 96
Electronic structure, vibrational spectrum and photochemistry of the Fe+H2 system 95
Direct semiclassical simulation of photochemical processes with semiempirical wavefunctions 94
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Photochemistry in the strong coupling regime: A trajectory surface hopping scheme 93
Dynamics of Azobenzene Dimer Photoisomerization: Electronic and Steric Effects 92
Surface hopping dynamics of direct trans -> cis photoswitching of an azobenzene derivative in constrained adsorbate geometries 91
Photodynamics of azobenzene in a hindering environment 90
Rabi oscillations in the dissociative continuum: rotation and alignment effects 87
Quantum mechanical and semiclassical dynamics at a conical intersection 87
A Theoretical Study for the Valence-Rydberg Interaction in Diatomic Molecules. Application to the NO beta Band System 86
Stochastic model for photoinduced anisotropy 84
The photoisomerization mechanism of azobenzene: a semiclassical simulation of nonadiabatic dynamics 83
Electronic structure of compounds with Fe-C bonds 83
Photodissociation dynamics of chlorine peroxide adsorbed on ice 79
Nonadiabatic transitions and interference in photodissociation dynamics 78
Multiscale Models for Light-Driven Processes 78
Quantum and semiclassical dynamics of the Franck-Condon wave packet on the coupled potential surfaces of the X2A'/A2A' conical intersection 77
Photodissociation of formic acid. A trajectory surface hopping study 76
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The on-the-fly surface-hopping program system Newton-X: application to ab initio simulation of the nonadiabatic photodynamics of benchmark systems 73
Singlet fission in covalent dimers of methylene-locked 1,3-diphenyl-isobenzofuran: semiclassical simulations of nonadiabatic dynamics 73
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Photoisomerization dynamics of spiropyran: A surface-hopping investigation 64
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Surface Hopping Dynamics with the Frenkel Exciton Model in a Semiempirical Framework 61
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Computational design of singlet fission biradicaloid chromophores 57
Photochemistry in condensed phase 56
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Absorption oscillator strengths for vibronic transitions of npp Rydberg series in NO 56
Surface Hopping Dynamics for Azobenzene Photoisomerization: Effects of Packing Density on Surfaces, Fluorination, and Excitation Wavelength 55
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The Quantum Decoherence Problem in Nonadiabatic Trajectory Methods 49
Coherent excitation of wavepackets in two electronic states. Interference effects at an avoided crossing. 49
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A chemical application of the algebraic concept of internal space 44
Protein control of photochemistry and transient intermediates in phytochromes 42
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Oscillator strength and polarization of the forbidden n-->pi* band of trans-azobenzene. A computational study 42
A surface hopping study of energy transfer in Na+Cd* collisions 42
Molecular gradients for semiempirical CI wavefunctions with floating occupation molecular orbitals 37
Non-coulombic states of N2(4+) and O2(4+) ions probed by laser-induced multi-ionization of N2 and O2 37
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Alignment of molecules in pulsed resonant laser fields 36
Atomic charges for molecular dynamics calculations 36
Computational design of covalently bound dimers for singlet fission 34
Benzene-O2 interaction potential from ab initio calculations 33
Ultrafast Excited-State Dynamics of Carotenoids and the Role of the SX State 32
Totale 8.527
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Categoria #
all - tutte 26.367
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 26.367
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020893 0 0 0 0 0 0 209 162 174 170 138 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
2024/20251.066 5 127 17 147 305 283 182 0 0 0 0 0
Totale 9.283