CINECA IRIS Institutional Research Information System

GRANUCCI, GIOVANNI
 Distribuzione geografica
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Continente #
NA - Nord America 5.271
EU - Europa 1.807
AS - Asia 726
AF - Africa 51
OC - Oceania 4
SA - Sud America 3
Continente sconosciuto - Info sul continente non disponibili 2
Totale 7.864
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Nazione #
US - Stati Uniti d'America 5.154
IT - Italia 577
SE - Svezia 479
CN - Cina 393
BG - Bulgaria 217
DE - Germania 146
CA - Canada 117
VN - Vietnam 116
TR - Turchia 84
FI - Finlandia 80
GB - Regno Unito 80
UA - Ucraina 77
SG - Singapore 49
SN - Senegal 40
RU - Federazione Russa 36
IN - India 33
CH - Svizzera 27
HK - Hong Kong 26
ES - Italia 22
FR - Francia 21
BE - Belgio 13
GR - Grecia 13
CI - Costa d'Avorio 10
JP - Giappone 8
KR - Corea 8
NL - Olanda 4
NZ - Nuova Zelanda 4
BR - Brasile 3
AT - Austria 2
EU - Europa 2
IE - Irlanda 2
IL - Israele 2
RO - Romania 2
TW - Taiwan 2
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 7.864
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Città #
Fairfield 747
Woodbridge 655
Ann Arbor 453
Houston 430
Chandler 406
Ashburn 329
Seattle 329
Cambridge 280
Wilmington 258
Sofia 217
Milan 175
Beijing 163
New York 161
Serra 119
Ottawa 111
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
Redwood City 27
Pune 24
Bern 21
Falls Church 21
Hong Kong 18
Kunming 16
Dearborn 15
Madrid 15
Norwalk 15
Rome 15
Colle Di Val D'elsa 14
Pisa 14
Brussels 13
Changsha 12
Jüchen 12
Ogden 12
Hebei 11
Abidjan 10
Jiaxing 10
Los Angeles 10
Potsdam 10
Scuola 10
Shenyang 9
Würzburg 8
Cagliari 7
Tianjin 7
Hangzhou 6
Hefei 6
Helsinki 6
Marseille 6
Ravenna 6
Washington 6
Jinan 5
London 5
San Francisco 5
Auckland 4
Bologna 4
Bremen 4
Orange 4
Shanghai 4
Singapore 4
Tokyo 4
Vicopisano 4
Auburn Hills 3
Council Bluffs 3
Dortmund 3
Edinburgh 3
Foligno 3
Lanzhou 3
Rourkela 3
Scandicci 3
Trieste 3
Belfast 2
Bowling Green 2
Florence 2
Grand Forks 2
Guangzhou 2
Hanoi 2
Indiana 2
Kaiserslautern 2
Lappeenranta 2
Livorno 2
Montreal 2
Mumbai 2
Neuss 2
North York 2
Nottingham 2
Oberhausen 2
Paternò 2
Pistoia 2
Ponsacco 2
Porto Alegre 2
Redmond 2
Totale 6.087
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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 197
Diabatization by localization in the framework of configuration interaction based on floating occupation molecular orbitals (FOMO-CI). 187
Theoretical study of the chemiluminescence of the Al + H2O reaction 157
Potential energy surfaces for the HBr+ + CO2 → Br + HOCO+ reaction in the HBr+ 2Π3/2 and 2Π1/2 spin-orbit states 156
Can Azobenzene Photoisomerize When Chemisorbed on a Gold Surface? An Analysis of Steric Effects Based on Nonadiabatic Dynamics Simulations 142
The Electronic Mean-Field Configuration Interaction method: II - Improving Guess Geminals 141
Testing new chromophores for singlet fission: A computational protocol applied to 2,3-diamino-1,4-benzoquinone 136
An overview of nonadiabatic dynamics simulations methods, with focus on the direct approach versus the fitting of potential energy surfaces 130
Azobenzene as a photoregulator covalently attached to RNA: a quantum mechanics/molecular mechanics-surface hopping dynamics study 124
Competing ultrafast intersystem crossing and internal conversion: a time resolved picture for the deactivation of 6-thioguanine 122
Conical intersections in solution: a QM/MM study using floating occupation semiempirical configuration interaction wave functions 121
Nonadiabatic dynamics simulations of singlet fission in 2,5-bis(fluorene-9-ylidene)-2,5-dihydrothiophene crystals 118
Dynamics of acetone photodissociation: a surface hopping study 117
Interplay of radiative and nonradiative transitions in surface hopping with radiation-molecule interactions 116
Computational study of the excited states of bilirubin IX 115
Photoisomerization of Self-Assembled Monolayers of Azobiphenyls: Simulations Highlight the Role of Packing and Defects 115
A theoretical investigation of excited state acidity of phenol and cyanophenols 111
The energetics of fragmentation of the naphthalene cation 108
Manipulating azobenzene photoisomerization through strong light-molecule coupling 106
Energy Selection in Nonadiabatic Transitions 104
New theoretical ideas for an old problem: excited state proton transfer in solution 103
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Surface hopping investigation of benzophenone excited state dynamics 99
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Delocalization effects in singlet fission: Comparing models with two and three interacting molecules 95
The photo-orientation of azobenzene in viscous solutions, simulated by a stochastic model 94
Strong Coupling with Light Enhances the Photoisomerization Quantum Yield of Azobenzene 94
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Newton-X: a surface-hopping program for nonadiabatic molecular dynamics 92
Intermolecular photochemical proton transfer in solution: new insights and perspectives 86
The photoisomerization of a peptidic derivative of azobenzene: a nonadiabatic dynamics simulation of a supramolecular system 85
Photochemistry. A modern theoretical perspective 85
Direct semiclassical simulation of photochemical processes with semiempirical wavefunctions 84
Dynamics of Azobenzene Dimer Photoisomerization: Electronic and Steric Effects 83
Electronic structure, vibrational spectrum and photochemistry of the Fe+H2 system 82
Photodynamics of azobenzene in a hindering environment 81
Photodynamics and time resolved fluorescence of azobenzene in solution: A mixed quantum-classical simulation 80
Surface hopping dynamics of direct trans -> cis photoswitching of an azobenzene derivative in constrained adsorbate geometries 79
Photochemistry in the strong coupling regime: A trajectory surface hopping scheme 78
Rabi oscillations in the dissociative continuum: rotation and alignment effects 77
A Theoretical Study for the Valence-Rydberg Interaction in Diatomic Molecules. Application to the NO beta Band System 77
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Quantum mechanical and semiclassical dynamics at a conical intersection 75
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Stochastic model for photoinduced anisotropy 73
The photoisomerization mechanism of azobenzene: a semiclassical simulation of nonadiabatic dynamics 72
Electronic structure of compounds with Fe-C bonds 72
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Photodissociation dynamics of chlorine peroxide adsorbed on ice 70
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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 68
Nonadiabatic transitions and interference in photodissociation dynamics 68
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Photodissociation of formic acid. A trajectory surface hopping study 65
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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 61
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Multiscale Models for Light-Driven Processes 60
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Singlet fission in covalent dimers of methylene-locked 1,3-diphenyl-isobenzofuran: semiclassical simulations of nonadiabatic dynamics 57
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Photoisomerization dynamics of spiropyran: A surface-hopping investigation 50
Surface Hopping Dynamics with the Frenkel Exciton Model in a Semiempirical Framework 48
Absorption oscillator strengths for vibronic transitions of npp Rydberg series in NO 47
Photochemistry in condensed phase 45
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Surface Hopping Dynamics for Azobenzene Photoisomerization: Effects of Packing Density on Surfaces, Fluorination, and Excitation Wavelength 45
Computational design of singlet fission biradicaloid chromophores 43
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Coherent excitation of wavepackets in two electronic states. Interference effects at an avoided crossing. 35
Oscillator strength and polarization of the forbidden n-->pi* band of trans-azobenzene. A computational study 31
A chemical application of the algebraic concept of internal space 30
A surface hopping study of energy transfer in Na+Cd* collisions 29
Molecular gradients for semiempirical CI wavefunctions with floating occupation molecular orbitals 26
Alignment of molecules in pulsed resonant laser fields 26
Atomic charges for molecular dynamics calculations 26
Benzene-O2 interaction potential from ab initio calculations 23
Non-coulombic states of N2(4+) and O2(4+) ions probed by laser-induced multi-ionization of N2 and O2 23
Protein control of photochemistry and transient intermediates in phytochromes 22
Critical appraisal of the fewest switches algorithm for surface hopping 22
Are azobenzenophanes rotation-restricted? 22
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Totale 7.686
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Categoria #
all - tutte 20.096
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 20.096
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2018/2019538 0 0 0 0 0 0 0 0 0 0 280 258
2019/20201.798 206 120 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
2023/2024685 71 75 89 33 117 172 42 21 21 20 24 0
Totale 8.085