CINECA IRIS Institutional Research Information System

PERSICO, MAURIZIO
 Distribuzione geografica
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Continente #
NA - Nord America 14.713
AS - Asia 6.403
EU - Europa 4.506
SA - Sud America 879
Continente sconosciuto - Info sul continente non disponibili 279
AF - Africa 246
OC - Oceania 8
Totale 27.034
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Nazione #
US - Stati Uniti d'America 14.313
SG - Singapore 1.998
CN - Cina 1.874
IT - Italia 1.416
HK - Hong Kong 928
SE - Svezia 758
BR - Brasile 712
VN - Vietnam 498
BG - Bulgaria 412
DE - Germania 349
KR - Corea 333
CA - Canada 315
UA - Ucraina 292
FR - Francia 270
GB - Regno Unito 258
TR - Turchia 243
FI - Finlandia 222
RU - Federazione Russa 206
IN - India 153
SN - Senegal 115
CH - Svizzera 109
BD - Bangladesh 77
JP - Giappone 69
AR - Argentina 59
ES - Italia 45
BE - Belgio 40
IQ - Iraq 34
ZA - Sudafrica 32
SA - Arabia Saudita 31
CO - Colombia 29
MX - Messico 29
VE - Venezuela 28
AT - Austria 26
PK - Pakistan 24
EC - Ecuador 22
NL - Olanda 20
UZ - Uzbekistan 19
IE - Irlanda 15
MA - Marocco 15
PL - Polonia 15
EG - Egitto 14
JO - Giordania 13
GR - Grecia 12
KE - Kenya 12
CI - Costa d'Avorio 11
AE - Emirati Arabi Uniti 10
DZ - Algeria 10
ID - Indonesia 10
IR - Iran 10
TT - Trinidad e Tobago 10
JM - Giamaica 9
KZ - Kazakistan 9
MY - Malesia 9
ET - Etiopia 8
IL - Israele 8
PE - Perù 8
PY - Paraguay 8
CZ - Repubblica Ceca 7
LB - Libano 7
PH - Filippine 7
TN - Tunisia 7
BB - Barbados 6
BJ - Benin 6
CL - Cile 6
AL - Albania 5
GT - Guatemala 5
HR - Croazia 5
MD - Moldavia 5
NP - Nepal 5
NZ - Nuova Zelanda 5
PA - Panama 5
BY - Bielorussia 4
DO - Repubblica Dominicana 4
NI - Nicaragua 4
TW - Taiwan 4
AM - Armenia 3
AO - Angola 3
AU - Australia 3
BH - Bahrain 3
BS - Bahamas 3
CR - Costa Rica 3
DK - Danimarca 3
KG - Kirghizistan 3
KW - Kuwait 3
PT - Portogallo 3
RS - Serbia 3
SV - El Salvador 3
TH - Thailandia 3
UY - Uruguay 3
AZ - Azerbaigian 2
BO - Bolivia 2
EU - Europa 2
GA - Gabon 2
GY - Guiana 2
HN - Honduras 2
NG - Nigeria 2
OM - Oman 2
PS - Palestinian Territory 2
SK - Slovacchia (Repubblica Slovacca) 2
SY - Repubblica araba siriana 2
Totale 26.735
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Città #
Woodbridge 1.479
Ashburn 1.327
Fairfield 1.264
Singapore 1.137
Ann Arbor 1.126
Houston 966
Hong Kong 907
Chandler 818
Santa Clara 695
San Jose 622
Seattle 549
Milan 471
Cambridge 465
Hefei 434
Dallas 429
Wilmington 413
Sofia 411
Jacksonville 362
Shanghai 353
Beijing 336
Seoul 316
New York 299
Serra 247
Ottawa 238
Boardman 192
Los Angeles 177
Princeton 173
Lawrence 159
Nanjing 157
Medford 154
Izmir 152
Lauterbourg 147
Council Bluffs 139
Des Moines 132
Dakar 115
Ho Chi Minh City 103
Bern 100
Dearborn 79
Hanoi 77
Buffalo 74
Istanbul 69
Jüchen 64
San Diego 64
Tokyo 60
Dong Ket 56
Nanchang 56
Columbus 52
Redondo Beach 52
São Paulo 52
Boulder 49
Rome 47
The Dalles 37
Brussels 36
Ogden 36
Bremen 33
Marseille 32
Redwood City 30
Rio de Janeiro 30
San Francisco 30
Orem 29
Helsinki 28
Chicago 26
London 26
Changsha 24
Florence 24
Pune 24
Denver 23
Pisa 23
Dhaka 22
Falls Church 22
Kunming 22
Munich 22
Montreal 21
Shenyang 21
Phoenix 20
Jiaxing 19
Tianjin 19
Vienna 19
Brasília 17
Porto Alegre 17
Toronto 17
Atlanta 16
Potsdam 16
Frankfurt am Main 15
Madrid 15
Washington 15
Hebei 14
Tashkent 14
Brooklyn 13
Düsseldorf 13
Guangzhou 13
Norwalk 13
Amman 12
Chennai 12
Fuzhou 12
Hangzhou 12
Hyderabad 12
Livorno 12
Orange 12
Abidjan 11
Totale 19.416
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Nome #
Coupled internal rotations in substituted ethoxybenzenes: maximum entropy analysis of nuclear magnetic resonance of nematic solution data and ab initio rotameric distributions 625
Diabatization by localization in the framework of configuration interaction based on floating occupation molecular orbitals (FOMO-CI). 286
An ab initio study of the photodissociation of nitrosoalkanes and nitrosamines. 272
Decoding the molecular basis for the population mechanism of the triplet phototoxic precursors in UVA light-activated pyrimidine anticancer drugs 265
Potential energy surfaces for the HBr+ + CO2 → Br + HOCO+ reaction in the HBr+ 2Π3/2 and 2Π1/2 spin-orbit states 260
On the direct calculation of the time evolution of excited molecular states in the presence of non adiabatic interactions. 243
ABINITIO EFFECTIVE PAIR POTENTIALS FOR SIMULATIONS OF THE LIQUID-STATE, BASED ON THE POLARIZABLE CONTINUUM MODEL OF THE SOLVENT 232
Torsional barriers and the electronic spectrum of nitrosomethane. 228
A simple solvent model for electron transfer reactions. 221
On the quenching mechanism of Na* (3 2P3/2) by CO: surface hopping trajectory calculations with ab initio CI potential energy surfaces. 220
Quasi diabatic states and dynamical couplings from ab initio CI calculations. A new proposal. 213
Theoretical study of the chemiluminescence of the Al + H2O reaction 212
An overview of nonadiabatic dynamics simulations methods, with focus on the direct approach versus the fitting of potential energy surfaces 212
Chemical reactions in solution. Modelling of the delay of solvent synchronism (dielectric friction) along the reaction path of a SN2 reaction. 211
Electron correlation and relative energetic characteristics of complex hydrides of light elements. Part I: beryllohydrides. 208
Testing new chromophores for singlet fission: A computational protocol applied to 2,3-diamino-1,4-benzoquinone 208
The determination of radial nonadiabatic coupling: HeNe++ as a case study. 206
Recent advances in multi-reference second order perturbation CI: the CIPSI method revisited 206
Multiphoton absorption and phase correlation between driving field and molecular dipole. 205
The Quantum Decoherence Problem in Nonadiabatic Trajectory Methods 204
Nonadiabatic dynamics simulations of singlet fission in 2,5-bis(fluorene-9-ylidene)-2,5-dihydrothiophene crystals 201
Quasi-bond orbitals from maximum-localization hybrids for ab initio CI calculations. 200
Azobenzene as a photoregulator covalently attached to RNA: a quantum mechanics/molecular mechanics-surface hopping dynamics study 200
Changes in electronically excited states and photochemistry of troponoids on complexation with acids. 198
CI study of geometrical relaxation in the ground and excited singlet and triplet states of unprotonated Schiff bases: allylideneimine and formaldimine. 195
Molecular reactivity in solution. Modelling of the effects of the solvent and of its stochastic fluctuation on the SN2 reaction. 195
Multireference perturbation CI III: Fast evaluation of the one-particle density matrix. 195
An evaluation of solvent effects on isomerization mechanisms in diimide and methylenimine. 194
Geometrical relaxation in the excited singlet states of propylene. 192
Ab initio determination of quasi-diabatic states for multiple reaction pathways. 191
Alternative paths in the ring opening of oxadiaziridine: the diimide N-oxide versus the oxodiimide rearrangement. 191
Comments on the diabatic representation. 190
Nonadiabatic coupling between low lying singlet states of geometrically relaxed olefins; ethylene and propylene. 190
Photo-orientation of Axial Molecules. 190
Roto-electronic and spin-orbit couplings in the predissociation of HNO. A theoretical calculation. 190
Strong Coupling with Light Enhances the Photoisomerization Quantum Yield of Azobenzene 190
Can Azobenzene Photoisomerize When Chemisorbed on a Gold Surface? An Analysis of Steric Effects Based on Nonadiabatic Dynamics Simulations 189
Photochemistry. A modern theoretical perspective 188
Azoxycompounds and oxadiaziridines. An ab initio study of the ring closure reactions and of the cis-trans isomerizations. 187
On the A 1Sigma+-1Pi transition in BH: Lambda-doubling and vibrational structure ab initio calculations. 186
Determination of the radial coupling between molecular states. 186
Photodynamics and time resolved fluorescence of azobenzene in solution: A mixed quantum-classical simulation 185
Quantum wavepacket dynamics on the BH 1Sigma+ states. 183
Dynamics of acetone photodissociation: a surface hopping study 183
Energy Selection in Nonadiabatic Transitions 183
Short-time quantum dynamics of the driven rigid rotor. 181
Multiphoton absorption and rotation: a model study. 181
Trajectory integration with potential energy discontinuities 181
Diabatic states from ab initio calculations. A new method applied to the Na(2S,2P) + N2 system. 180
Simplified treatment of organic substituents in SCF-CI calculations. The methyl group. 180
Rotational averaging and optimization of laser-induced population transfer in molecules 180
Contracted and supercontracted basis sets in the theoretical treatment of coordination compounds: the cyclopentadienyl anion and ferrocene. 179
Algorithms for Sampling a Quantum Microcanonical Ensemble of Harmonic Oscillators at Potential Minima and Conical Intersections 179
Avoided crossing of molecular excited states and photochemistry: butadiene and unprotonated Schiff base. 178
Delocalization effects in singlet fission: Comparing models with two and three interacting molecules 178
Molecular interactions in solution: an overview of methods based on continuous distributions of the solvent. 177
Electronic diabatic states: definition, computation and applications. 174
Quasi-diabatic and adiabatic states and potential energy curves for Na-Cd collisions and excimer formation. 174
Infra-red multiphoton absorption and alignment of diatomic molecules in a continuous wave field 174
The Stille reaction: a density functional theory analysis of the transmetalation and the importance of coordination expansion at tin 174
Multireference perturbation CI I: extrapolation procedures with CAS or selected zero-order spaces. 174
On the conformational structure of silabiphenyls. 173
Semiclassical treatment of the photofragmentation of azomethane. 173
Multiphoton absorption and anharmonicity. 173
Wavepacket dynamics in the presence of a conical intersection. 172
Computational study of the excited states of bilirubin IX 171
Quantum wavepacket dynamics simulations of Above Threshold Dissociation in Na2+ 170
An ab initio study of the photochemistry of azobenzene. 169
A non-adiabatic representation of potential energy curves. Study of the HeNe2+ system. 167
Multireference perturbation CI II: selection of the zero-order space. 167
Line shape study of three-photon ionization through intermediate states of Rb atoms. 167
Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles 166
The photoisomerization of a peptidic derivative of azobenzene: a nonadiabatic dynamics simulation of a supramolecular system 166
Quantum wavepacket dynamics for the 1Sigma+ states of boron hydride. 165
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. 165
Singlet fission in covalent dimers of methylene-locked 1,3-diphenyl-isobenzofuran: semiclassical simulations of nonadiabatic dynamics 165
Quantum mechanical study of stereoselectivity in the oxazaborolidine-catalyzed reduction of acetophenone 164
Competing ultrafast intersystem crossing and internal conversion: a time resolved picture for the deactivation of 6-thioguanine 164
Dynamics of Azobenzene Dimer Photoisomerization: Electronic and Steric Effects 163
Interplay of radiative and nonradiative transitions in surface hopping with radiation-molecule interactions 161
Manipulating azobenzene photoisomerization through strong light-molecule coupling 161
Charge transfer and curve crossings in the [Be H2O]2+ system 160
Infra-red multiphoton absorption and electronic polarizability. 159
Ab initio effective pair potentials for simulations of the liquid state, based on the polarizable continuum model of the solvent 159
Photoisomerization of Self-Assembled Monolayers of Azobiphenyls: Simulations Highlight the Role of Packing and Defects 159
Investigating the Photodynamics of trans-Azobenzene with Coupled Trajectories 154
FREE-ENERGIES AND STRUCTURES OF HYDRATED CATIONS, BASED ON EFFECTIVE PAIR POTENTIALS 153
Newton-X: a surface-hopping program for nonadiabatic molecular dynamics 153
The problem of coupled internal rotations in substituted ethoxybenzenes: maximum entropy analysis of LX-NMR data and ab initio rotameric distributions. 152
Line shape study of two-color three-photon ionization of Rb atoms 152
Computational design of covalently bound dimers for singlet fission 149
The photo-orientation of azobenzene in viscous solutions, simulated by a stochastic model 149
Photochemistry in the strong coupling regime: A trajectory surface hopping scheme 148
An ab initio study of the lowest 1,3 Sigma+ states of BH. Quasi diabatic curves and vibronic couplings. 147
Theoretical study of two-photon above threshold dissociation and related processes in Na2+ and Li2+. 147
Stochastic model for photoinduced anisotropy 147
Surface hopping investigation of benzophenone excited state dynamics 146
An ab initio study of spectroscopy and predissociation of ClO. 144
Theoretical photoabsorption spectra for ClOOCl and Cl2O. 142
Photo-orientation of molecules on a surface 141
Totale 18.756
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Categoria #
all - tutte 73.844
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 73.844
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2021/20221.872 0 110 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
2024/20255.288 7 202 30 254 514 417 436 300 460 633 642 1.393
2025/20265.629 291 947 595 313 423 555 829 269 197 399 488 323
2026/2027232 154 78 0 0 0 0 0 0 0 0 0 0
Totale 27.034