CINECA IRIS Institutional Research Information System

PERSICO, MAURIZIO
 Distribuzione geografica
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Continente #
NA - Nord America 10.489
EU - Europa 3.699
AS - Asia 1.313
AF - Africa 125
OC - Oceania 8
SA - Sud America 7
Continente sconosciuto - Info sul continente non disponibili 2
Totale 15.643
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Nazione #
US - Stati Uniti d'America 10.229
IT - Italia 1.301
SE - Svezia 754
CN - Cina 680
BG - Bulgaria 410
UA - Ucraina 279
DE - Germania 276
CA - Canada 259
FI - Finlandia 193
VN - Vietnam 185
GB - Regno Unito 175
SG - Singapore 159
TR - Turchia 154
SN - Senegal 113
CH - Svizzera 106
IN - India 53
FR - Francia 52
RU - Federazione Russa 51
HK - Hong Kong 39
BE - Belgio 36
ES - Italia 21
GR - Grecia 12
CI - Costa d'Avorio 10
IR - Iran 10
JP - Giappone 9
KR - Corea 9
NL - Olanda 8
AT - Austria 6
IE - Irlanda 6
BR - Brasile 5
NZ - Nuova Zelanda 5
AU - Australia 3
IL - Israele 3
CL - Cile 2
CZ - Repubblica Ceca 2
DK - Danimarca 2
EG - Egitto 2
EU - Europa 2
HR - Croazia 2
ID - Indonesia 2
MY - Malesia 2
TW - Taiwan 2
AE - Emirati Arabi Uniti 1
BN - Brunei Darussalam 1
EE - Estonia 1
HU - Ungheria 1
JO - Giordania 1
KW - Kuwait 1
KZ - Kazakistan 1
MD - Moldavia 1
MX - Messico 1
NO - Norvegia 1
PL - Polonia 1
PT - Portogallo 1
RS - Serbia 1
SA - Arabia Saudita 1
Totale 15.643
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Città #
Woodbridge 1.479
Fairfield 1.264
Ann Arbor 1.125
Houston 957
Chandler 818
Ashburn 581
Seattle 546
Milan 469
Cambridge 464
Wilmington 412
Sofia 410
Jacksonville 358
New York 255
Beijing 246
Serra 245
Ottawa 237
Princeton 173
Lawrence 158
Nanjing 157
Medford 153
Izmir 151
Des Moines 131
Dakar 113
Bern 100
Dearborn 79
Singapore 72
Jüchen 64
San Diego 63
Dong Ket 56
Nanchang 56
Boulder 48
Ogden 36
Brussels 34
Bremen 32
Rome 31
Hong Kong 30
Redwood City 30
Changsha 24
Pune 23
Falls Church 22
Kunming 22
Shenyang 21
Jiaxing 19
Tianjin 17
Hefei 15
Hebei 14
Los Angeles 14
Madrid 13
Norwalk 13
London 12
Orange 12
Florence 11
Jinan 11
Washington 11
Abidjan 10
Auburn Hills 10
Hangzhou 10
Potsdam 10
Toronto 10
Helsinki 9
Hyderabad 9
Marseille 9
Scuola 9
Würzburg 9
Colle Di Val D'elsa 8
San Francisco 8
Shanghai 8
Ardabil 7
Pisa 7
Tappahannock 7
Tokyo 6
Trieste 6
Augusta 5
Bologna 5
Cagliari 5
Changchun 5
Dublin 5
Edinburgh 5
Frankfurt am Main 5
Indiana 5
Verona 5
Vienna 5
Auckland 4
Chengdu 4
Council Bluffs 4
Kent 4
Lanzhou 4
Lappeenranta 4
Leawood 4
Ravenna 4
Vicopisano 4
Dortmund 3
Durham 3
Düsseldorf 3
Foligno 3
Fuzhou 3
Guangzhou 3
Montreal 3
Paris 3
Rourkela 3
Totale 12.172
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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 198
An ab initio study of the photodissociation of nitrosoalkanes and nitrosamines. 191
Diabatization by localization in the framework of configuration interaction based on floating occupation molecular orbitals (FOMO-CI). 189
On the direct calculation of the time evolution of excited molecular states in the presence of non adiabatic interactions. 164
Potential energy surfaces for the HBr+ + CO2 → Br + HOCO+ reaction in the HBr+ 2Π3/2 and 2Π1/2 spin-orbit states 157
Theoretical study of the chemiluminescence of the Al + H2O reaction 157
A simple solvent model for electron transfer reactions. 149
Multiphoton absorption and phase correlation between driving field and molecular dipole. 147
On the quenching mechanism of Na* (3 2P3/2) by CO: surface hopping trajectory calculations with ab initio CI potential energy surfaces. 146
Torsional barriers and the electronic spectrum of nitrosomethane. 144
Quasi diabatic states and dynamical couplings from ab initio CI calculations. A new proposal. 143
Can Azobenzene Photoisomerize When Chemisorbed on a Gold Surface? An Analysis of Steric Effects Based on Nonadiabatic Dynamics Simulations 143
Chemical reactions in solution. Modelling of the delay of solvent synchronism (dielectric friction) along the reaction path of a SN2 reaction. 141
Quasi-bond orbitals from maximum-localization hybrids for ab initio CI calculations. 141
Roto-electronic and spin-orbit couplings in the predissociation of HNO. A theoretical calculation. 141
Testing new chromophores for singlet fission: A computational protocol applied to 2,3-diamino-1,4-benzoquinone 138
Alternative paths in the ring opening of oxadiaziridine: the diimide N-oxide versus the oxodiimide rearrangement. 136
The determination of radial nonadiabatic coupling: HeNe++ as a case study. 133
ABINITIO EFFECTIVE PAIR POTENTIALS FOR SIMULATIONS OF THE LIQUID-STATE, BASED ON THE POLARIZABLE CONTINUUM MODEL OF THE SOLVENT 133
Geometrical relaxation in the excited singlet states of propylene. 132
Electron correlation and relative energetic characteristics of complex hydrides of light elements. Part I: beryllohydrides. 131
An overview of nonadiabatic dynamics simulations methods, with focus on the direct approach versus the fitting of potential energy surfaces 130
Recent advances in multi-reference second order perturbation CI: the CIPSI method revisited 128
Azoxycompounds and oxadiaziridines. An ab initio study of the ring closure reactions and of the cis-trans isomerizations. 128
Multireference perturbation CI I: extrapolation procedures with CAS or selected zero-order spaces. 128
Ab initio determination of quasi-diabatic states for multiple reaction pathways. 126
Azobenzene as a photoregulator covalently attached to RNA: a quantum mechanics/molecular mechanics-surface hopping dynamics study 126
Electronic diabatic states: definition, computation and applications. 125
Photo-orientation of Axial Molecules. 125
Charge transfer and curve crossings in the [Be H2O]2+ system 125
Determination of the radial coupling between molecular states. 124
Molecular reactivity in solution. Modelling of the effects of the solvent and of its stochastic fluctuation on the SN2 reaction. 123
Multireference perturbation CI III: Fast evaluation of the one-particle density matrix. 123
Competing ultrafast intersystem crossing and internal conversion: a time resolved picture for the deactivation of 6-thioguanine 123
An ab initio study of the photochemistry of azobenzene. 119
Nonadiabatic dynamics simulations of singlet fission in 2,5-bis(fluorene-9-ylidene)-2,5-dihydrothiophene crystals 119
Comments on the diabatic representation. 118
Quantum wavepacket dynamics on the BH 1Sigma+ states. 118
Algorithms for Sampling a Quantum Microcanonical Ensemble of Harmonic Oscillators at Potential Minima and Conical Intersections 118
Dynamics of acetone photodissociation: a surface hopping study 118
An evaluation of solvent effects on isomerization mechanisms in diimide and methylenimine. 117
Multiphoton absorption and rotation: a model study. 117
On the A 1Sigma+-1Pi transition in BH: Lambda-doubling and vibrational structure ab initio calculations. 116
Changes in electronically excited states and photochemistry of troponoids on complexation with acids. 116
Quasi-diabatic and adiabatic states and potential energy curves for Na-Cd collisions and excimer formation. 116
Line shape study of three-photon ionization through intermediate states of Rb atoms. 116
Infra-red multiphoton absorption and alignment of diatomic molecules in a continuous wave field 116
Trajectory integration with potential energy discontinuities 116
Photoisomerization of Self-Assembled Monolayers of Azobiphenyls: Simulations Highlight the Role of Packing and Defects 116
Interplay of radiative and nonradiative transitions in surface hopping with radiation-molecule interactions 116
Nonadiabatic coupling between low lying singlet states of geometrically relaxed olefins; ethylene and propylene. 115
Simplified treatment of organic substituents in SCF-CI calculations. The methyl group. 115
Semiclassical treatment of the photofragmentation of azomethane. 115
Computational study of the excited states of bilirubin IX 115
A CI study of geometrical relaxation in the excited states of butadiene: energy surfaces and properties for simultaneous torsion and elongation of one double bond. 114
On the conformational structure of silabiphenyls. 112
CI study of geometrical relaxation in the ground and excited singlet and triplet states of unprotonated Schiff bases: allylideneimine and formaldimine. 111
Multiphoton absorption and anharmonicity. 111
The Stille reaction: a density functional theory analysis of the transmetalation and the importance of coordination expansion at tin 111
Ab initio effective pair potentials for simulations of the liquid state, based on the polarizable continuum model of the solvent 111
Molecular interactions in solution: an overview of methods based on continuous distributions of the solvent. 110
Short-time quantum dynamics of the driven rigid rotor. 110
Theoretical study of two-photon above threshold dissociation and related processes in Na2+ and Li2+. 110
Quantum mechanical study of stereoselectivity in the oxazaborolidine-catalyzed reduction of acetophenone 109
Multireference perturbation CI II: selection of the zero-order space. 108
Manipulating azobenzene photoisomerization through strong light-molecule coupling 108
Line shape study of two-color three-photon ionization of Rb atoms 107
Contracted and supercontracted basis sets in the theoretical treatment of coordination compounds: the cyclopentadienyl anion and ferrocene. 106
Energy Selection in Nonadiabatic Transitions 105
Diabatic states from ab initio calculations. A new method applied to the Na(2S,2P) + N2 system. 104
Avoided crossing of molecular excited states and photochemistry: butadiene and unprotonated Schiff base. 103
Wavepacket dynamics in the presence of a conical intersection. 101
Surface hopping investigation of benzophenone excited state dynamics 101
Quantum wavepacket dynamics for the 1Sigma+ states of boron hydride. 99
Quantum wavepacket dynamics simulations of Above Threshold Dissociation in Na2+ 99
Quantum chemical determination of the rate coefficients for radiative association of CH3+ and H2. 98
Delocalization effects in singlet fission: Comparing models with two and three interacting molecules 98
null 96
Rotational averaging and optimization of laser-induced population transfer in molecules 96
Strong Coupling with Light Enhances the Photoisomerization Quantum Yield of Azobenzene 96
Theoretical photoabsorption spectra for ClOOCl and Cl2O. 95
The photo-orientation of azobenzene in viscous solutions, simulated by a stochastic model 95
The role of nonadiabatic coupling and sudden polarization in the photoisomerization of olefins. 94
Aspects of electrophilic bromination of alkenes in solution. Theoretical calculation of atomic charges in bromonium ions. 94
A non-adiabatic representation of potential energy curves. Study of the HeNe2+ system. 93
The problem of coupled internal rotations in substituted ethoxybenzenes: maximum entropy analysis of LX-NMR data and ab initio rotameric distributions. 93
Newton-X: a surface-hopping program for nonadiabatic molecular dynamics 93
Above Threshold Dissociation and wavepacket propagation. 92
Infra-red multiphoton absorption and electronic polarizability. 91
Approssimazione di Born-Oppenheimer ed accoppiamenti vibronici. 91
An ab initio study of spectroscopy and predissociation of ClO. 90
Photo-orientation of molecules on a surface 87
FREE-ENERGIES AND STRUCTURES OF HYDRATED CATIONS, BASED ON EFFECTIVE PAIR POTENTIALS 87
The evaluation of nonadiabatic matrix elements. A comparison of different approximations applied to LiH X-A 1Sigma+. 87
About the origin of the chiroptical properties of the planar diene chromophore in cyclohexylidenepropene derivatives. 87
Photochemistry. A modern theoretical perspective 87
The photoisomerization of a peptidic derivative of azobenzene: a nonadiabatic dynamics simulation of a supramolecular system 86
An ab initio study of the lowest 1,3 Sigma+ states of BH. Quasi diabatic curves and vibronic couplings. 85
Direct semiclassical simulation of photochemical processes with semiempirical wavefunctions 85
Dynamics of Azobenzene Dimer Photoisomerization: Electronic and Steric Effects 84
Totale 11.650
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Categoria #
all - tutte 39.989
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 39.989
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20203.334 402 269 234 221 344 350 381 275 328 231 235 64
2020/20211.598 145 81 114 55 163 142 92 158 157 139 114 238
2021/20221.969 97 110 50 139 344 275 58 111 72 86 82 545
2022/20232.190 315 294 105 249 217 317 19 177 366 9 102 20
2023/20241.603 278 184 223 92 231 271 42 51 36 13 50 132
2024/20257 7 0 0 0 0 0 0 0 0 0 0 0
Totale 15.892