CINECA IRIS Institutional Research Information System

GRANUCCI, GIOVANNI
 Distribuzione geografica
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Continente #
NA - Nord America 5.414
EU - Europa 1.828
AS - Asia 825
AF - Africa 51
OC - Oceania 5
SA - Sud America 3
Continente sconosciuto - Info sul continente non disponibili 2
Totale 8.128
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Nazione #
US - Stati Uniti d'America 5.297
IT - Italia 588
SE - Svezia 479
CN - Cina 404
BG - Bulgaria 217
DE - Germania 148
SG - Singapore 127
CA - Canada 117
VN - Vietnam 116
FI - Finlandia 84
TR - Turchia 84
GB - Regno Unito 80
UA - Ucraina 77
IN - India 42
SN - Senegal 40
RU - Federazione Russa 36
CH - Svizzera 27
HK - Hong Kong 26
FR - Francia 23
ES - Italia 22
BE - Belgio 13
GR - Grecia 13
CI - Costa d'Avorio 10
JP - Giappone 9
KR - Corea 8
NL - Olanda 5
NZ - Nuova Zelanda 4
AT - Austria 3
BR - Brasile 3
EU - Europa 2
IE - Irlanda 2
IL - Israele 2
RO - Romania 2
TW - Taiwan 2
AU - Australia 1
BN - Brunei Darussalam 1
CZ - Repubblica Ceca 1
DK - Danimarca 1
EE - Estonia 1
EG - Egitto 1
HR - Croazia 1
HU - Ungheria 1
ID - Indonesia 1
IR - Iran 1
KW - Kuwait 1
MY - Malesia 1
NO - Norvegia 1
PL - Polonia 1
PT - Portogallo 1
RS - Serbia 1
Totale 8.128
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Città #
Fairfield 747
Woodbridge 655
Ann Arbor 453
Houston 430
Chandler 406
Ashburn 330
Seattle 329
Cambridge 280
Wilmington 258
Sofia 217
Milan 175
Beijing 163
New York 161
Serra 119
Ottawa 111
Boardman 103
Princeton 101
Jacksonville 91
Lawrence 89
Medford 87
Izmir 83
Nanjing 70
Singapore 58
Des Moines 57
Dakar 40
San Diego 35
Boulder 31
Dong Ket 31
Nanchang 31
Ogden 27
Redwood City 27
Pune 24
Bern 21
Falls Church 21
Hong Kong 18
Kunming 16
Dearborn 15
Madrid 15
Norwalk 15
Pisa 15
Rome 15
Colle Di Val D'elsa 14
Brussels 13
Changsha 12
Jüchen 12
Hebei 11
Potsdam 11
Abidjan 10
Jiaxing 10
Los Angeles 10
Scuola 10
Hyderabad 9
Santa Clara 9
Shenyang 9
Würzburg 8
Cagliari 7
Hefei 7
Helsinki 7
Tianjin 7
Hangzhou 6
Marseille 6
Ravenna 6
Washington 6
Jinan 5
Lappeenranta 5
London 5
San Francisco 5
Auckland 4
Bologna 4
Bremen 4
Guangzhou 4
Orange 4
Shanghai 4
Tokyo 4
Vicopisano 4
Auburn Hills 3
Council Bluffs 3
Dortmund 3
Edinburgh 3
Florence 3
Foligno 3
Lanzhou 3
Livorno 3
Rourkela 3
Scandicci 3
Trieste 3
Belfast 2
Bowling Green 2
Grand Forks 2
Hanoi 2
Indiana 2
Kaiserslautern 2
Montreal 2
Mumbai 2
Neuss 2
North York 2
Nottingham 2
Oberhausen 2
Paternò 2
Pistoia 2
Totale 6.283
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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 199
Diabatization by localization in the framework of configuration interaction based on floating occupation molecular orbitals (FOMO-CI). 190
Potential energy surfaces for the HBr+ + CO2 → Br + HOCO+ reaction in the HBr+ 2Π3/2 and 2Π1/2 spin-orbit states 159
Theoretical study of the chemiluminescence of the Al + H2O reaction 158
Can Azobenzene Photoisomerize When Chemisorbed on a Gold Surface? An Analysis of Steric Effects Based on Nonadiabatic Dynamics Simulations 144
The Electronic Mean-Field Configuration Interaction method: II - Improving Guess Geminals 143
Testing new chromophores for singlet fission: A computational protocol applied to 2,3-diamino-1,4-benzoquinone 139
An overview of nonadiabatic dynamics simulations methods, with focus on the direct approach versus the fitting of potential energy surfaces 132
Azobenzene as a photoregulator covalently attached to RNA: a quantum mechanics/molecular mechanics-surface hopping dynamics study 127
Conical intersections in solution: a QM/MM study using floating occupation semiempirical configuration interaction wave functions 124
Competing ultrafast intersystem crossing and internal conversion: a time resolved picture for the deactivation of 6-thioguanine 124
Nonadiabatic dynamics simulations of singlet fission in 2,5-bis(fluorene-9-ylidene)-2,5-dihydrothiophene crystals 120
Dynamics of acetone photodissociation: a surface hopping study 119
Photoisomerization of Self-Assembled Monolayers of Azobiphenyls: Simulations Highlight the Role of Packing and Defects 117
Interplay of radiative and nonradiative transitions in surface hopping with radiation-molecule interactions 117
Computational study of the excited states of bilirubin IX 116
A theoretical investigation of excited state acidity of phenol and cyanophenols 114
The energetics of fragmentation of the naphthalene cation 110
Manipulating azobenzene photoisomerization through strong light-molecule coupling 109
Energy Selection in Nonadiabatic Transitions 106
New theoretical ideas for an old problem: excited state proton transfer in solution 104
Surface hopping investigation of benzophenone excited state dynamics 102
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Delocalization effects in singlet fission: Comparing models with two and three interacting molecules 99
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Strong Coupling with Light Enhances the Photoisomerization Quantum Yield of Azobenzene 97
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The photo-orientation of azobenzene in viscous solutions, simulated by a stochastic model 96
Newton-X: a surface-hopping program for nonadiabatic molecular dynamics 95
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The photoisomerization of a peptidic derivative of azobenzene: a nonadiabatic dynamics simulation of a supramolecular system 89
Intermolecular photochemical proton transfer in solution: new insights and perspectives 88
Photochemistry. A modern theoretical perspective 88
Direct semiclassical simulation of photochemical processes with semiempirical wavefunctions 86
Dynamics of Azobenzene Dimer Photoisomerization: Electronic and Steric Effects 85
Electronic structure, vibrational spectrum and photochemistry of the Fe+H2 system 84
Photodynamics and time resolved fluorescence of azobenzene in solution: A mixed quantum-classical simulation 84
Photodynamics of azobenzene in a hindering environment 82
Photochemistry in the strong coupling regime: A trajectory surface hopping scheme 81
Surface hopping dynamics of direct trans -> cis photoswitching of an azobenzene derivative in constrained adsorbate geometries 80
Rabi oscillations in the dissociative continuum: rotation and alignment effects 79
A Theoretical Study for the Valence-Rydberg Interaction in Diatomic Molecules. Application to the NO beta Band System 78
Quantum mechanical and semiclassical dynamics at a conical intersection 77
Stochastic model for photoinduced anisotropy 76
The photoisomerization mechanism of azobenzene: a semiclassical simulation of nonadiabatic dynamics 75
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Electronic structure of compounds with Fe-C bonds 75
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Photodissociation dynamics of chlorine peroxide adsorbed on ice 72
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Quantum and semiclassical dynamics of the Franck-Condon wave packet on the coupled potential surfaces of the X2A'/A2A' conical intersection 70
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Nonadiabatic transitions and interference in photodissociation dynamics 69
Photodissociation of formic acid. A trajectory surface hopping study 67
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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 63
Multiscale Models for Light-Driven Processes 63
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Singlet fission in covalent dimers of methylene-locked 1,3-diphenyl-isobenzofuran: semiclassical simulations of nonadiabatic dynamics 61
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Photoisomerization dynamics of spiropyran: A surface-hopping investigation 53
Surface Hopping Dynamics with the Frenkel Exciton Model in a Semiempirical Framework 51
Absorption oscillator strengths for vibronic transitions of npp Rydberg series in NO 49
Photochemistry in condensed phase 48
Surface Hopping Dynamics for Azobenzene Photoisomerization: Effects of Packing Density on Surfaces, Fluorination, and Excitation Wavelength 47
Computational design of singlet fission biradicaloid chromophores 46
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Coherent excitation of wavepackets in two electronic states. Interference effects at an avoided crossing. 37
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Oscillator strength and polarization of the forbidden n-->pi* band of trans-azobenzene. A computational study 32
A chemical application of the algebraic concept of internal space 32
A surface hopping study of energy transfer in Na+Cd* collisions 31
Alignment of molecules in pulsed resonant laser fields 29
Molecular gradients for semiempirical CI wavefunctions with floating occupation molecular orbitals 28
Atomic charges for molecular dynamics calculations 28
The Quantum Decoherence Problem in Nonadiabatic Trajectory Methods 27
Protein control of photochemistry and transient intermediates in phytochromes 27
Non-coulombic states of N2(4+) and O2(4+) ions probed by laser-induced multi-ionization of N2 and O2 25
Critical appraisal of the fewest switches algorithm for surface hopping 24
Benzene-O2 interaction potential from ab initio calculations 24
Are azobenzenophanes rotation-restricted? 24
Totale 7.849
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Categoria #
all - tutte 22.712
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 22.712
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20201.472 0 0 93 127 174 185 209 162 174 170 138 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
2024/2025137 5 127 5 0 0 0 0 0 0 0 0 0
Totale 8.354