CINECA IRIS Institutional Research Information System

FLORIS, FRANCA MARIA
 Distribuzione geografica
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Continente #
NA - Nord America 4.345
AS - Asia 1.694
EU - Europa 1.281
SA - Sud America 302
AF - Africa 60
OC - Oceania 6
Totale 7.688
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Nazione #
US - Stati Uniti d'America 4.247
SG - Singapore 497
CN - Cina 477
IT - Italia 421
HK - Hong Kong 260
BR - Brasile 241
DE - Germania 176
SE - Svezia 171
BG - Bulgaria 119
TR - Turchia 103
VN - Vietnam 102
FR - Francia 73
GB - Regno Unito 73
CA - Canada 72
FI - Finlandia 63
RU - Federazione Russa 61
IN - India 58
UA - Ucraina 49
KR - Corea 43
JP - Giappone 41
BD - Bangladesh 29
CH - Svizzera 22
AR - Argentina 20
SN - Senegal 17
BE - Belgio 16
PK - Pakistan 14
ES - Italia 11
SA - Arabia Saudita 11
ZA - Sudafrica 11
IQ - Iraq 10
MX - Messico 10
CO - Colombia 8
VE - Venezuela 8
CL - Cile 7
AU - Australia 6
CZ - Repubblica Ceca 6
ID - Indonesia 6
KE - Kenya 6
UY - Uruguay 6
AE - Emirati Arabi Uniti 5
DZ - Algeria 5
EC - Ecuador 5
IE - Irlanda 5
JO - Giordania 5
NP - Nepal 5
AT - Austria 4
KZ - Kazakistan 4
MA - Marocco 4
TN - Tunisia 4
UZ - Uzbekistan 4
AZ - Azerbaigian 3
BB - Barbados 3
EG - Egitto 3
JM - Giamaica 3
LB - Libano 3
PL - Polonia 3
BJ - Benin 2
BO - Bolivia 2
CR - Costa Rica 2
GA - Gabon 2
MY - Malesia 2
OM - Oman 2
PA - Panama 2
PE - Perù 2
PH - Filippine 2
PR - Porto Rico 2
PY - Paraguay 2
SY - Repubblica araba siriana 2
TH - Thailandia 2
BS - Bahamas 1
BY - Bielorussia 1
CI - Costa d'Avorio 1
DK - Danimarca 1
ET - Etiopia 1
GE - Georgia 1
GH - Ghana 1
GY - Guiana 1
HU - Ungheria 1
KW - Kuwait 1
KY - Cayman, isole 1
LT - Lituania 1
LU - Lussemburgo 1
MD - Moldavia 1
MG - Madagascar 1
MV - Maldive 1
NG - Nigeria 1
NL - Olanda 1
PS - Palestinian Territory 1
RS - Serbia 1
SV - El Salvador 1
TT - Trinidad e Tobago 1
TZ - Tanzania 1
Totale 7.688
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Città #
Woodbridge 544
Fairfield 420
Ashburn 359
Ann Arbor 302
Singapore 289
Houston 284
Santa Clara 269
Hong Kong 253
Chandler 223
Seattle 202
San Jose 180
Serra 158
Wilmington 158
Cambridge 146
Dallas 120
Sofia 118
Beijing 112
Shanghai 90
Izmir 70
Hefei 68
Los Angeles 65
New York 64
Jacksonville 62
Princeton 58
Ottawa 57
Boardman 56
Milan 51
Lawrence 50
Lauterbourg 45
Seoul 43
Medford 42
Livorno 39
Bremen 37
San Diego 33
Dearborn 32
Tokyo 32
Nanjing 31
Des Moines 30
Council Bluffs 29
Istanbul 24
Munich 22
Buffalo 21
Marseille 21
São Paulo 19
Columbus 17
Dakar 17
Dong Ket 17
Ho Chi Minh City 17
Boulder 16
Pisa 16
Pune 16
Nanchang 15
Redondo Beach 15
Brussels 14
Rio de Janeiro 13
Hanoi 12
Helsinki 12
The Dalles 12
Zurich 12
Bern 10
Dhaka 10
London 9
Norwalk 9
Potsdam 9
San Francisco 9
Turku 9
Ogden 8
Pescia 8
Phoenix 8
Redwood City 8
Tianjin 8
Changsha 7
Hebei 7
Jüchen 7
Kunming 7
New Delhi 7
Baltimore 6
Falls Church 6
Florence 6
Manchester 6
Shenyang 6
Amman 5
Brasília 5
Curitiba 5
Lanzhou 5
Leawood 5
Montevideo 5
Nairobi 5
Brooklyn 4
Enterprise 4
Hangzhou 4
Jiaxing 4
Johannesburg 4
Orange 4
Riyadh 4
Rome 4
Salvador 4
Sydney 4
Tashkent 4
Toronto 4
Totale 5.802
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Nome #
Excess densities and equimolar surfaces for spherical cavities in water 245
Dispersion and repulsion contributions to the solvation energy: refinements to a simple computational model in the continuum approximation 239
Theoretical determination of the Gibbs energy of solution and transfer between immiscible solvents, with comments on the dynamics of phase transfer 231
ABINITIO EFFECTIVE PAIR POTENTIALS FOR SIMULATIONS OF THE LIQUID-STATE, BASED ON THE POLARIZABLE CONTINUUM MODEL OF THE SOLVENT 231
A computational ab initio model for the evaluation of thermodynamic functions for solvent transfer processes 220
Modeling the Cavitation Free Energy 200
MCSCF study of the S(N)2 Menshutkin reaction in aqueous solution within the polarizable continuum model 199
Coupling Quantum Monte Carlo to a Nonlinear Polarizable Continuum Model for Spherical Solutes 197
Evaluation of the dispersion contribution to the solvation energy. Computational model in the continuum approximation 196
Study of dispersion forces with Quantum Monte Carlo: toward a continuum model for solvation 183
Introducing QMC/MMpol: Quantum Monte Carlo in Polarizable Force Fields for Excited States 182
Nonideal Effects on the Excess Volume from Small to Large Cavities in TIP4P water 178
Shannon Entropy in Atoms: A Test for the Assessment of Density Functionals in Kohn-Sham Theory 177
Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: Acrolein in water 170
Effect of increasing pressure on excess volumes for cavities in TIP4P water 168
A MCSCF study of the SN2 Menshutkin reaction in Aqueous Solution within the Polarizable Continuum Model 168
Localized Polycentric Orbital Basis Set for Quantum Monte Carlo Calculations Derived from the Decomposition of Kohn-Sham Optimized Orbitals 167
Shannon entropy and correlation energy for electrons in atoms 167
Volume Errors and equimolar surfaces 161
Excess Volumes from the Pressure Derivative of the Excess Chemical Potential: Testing Simple Models for Cavity Formation in Water 160
Interaction potentials for small molecules 157
Ab initio effective pair potentials for simulations of the liquid state, based on the polarizable continuum model of the solvent 157
The formation of a cavity in water: Changes of water distribution and prediction of the excess chemical potential of a hard-sphere solute under increasing pressure 151
Preferential solvation of Ca(2+) in aqueous solutions containing ammonia: A Molecular dynamics study 149
A study of aqueous solutions of lanthanide ions by molecular dynamics simulation with ab initio effective pair potentials 149
Theoretical Modeling of the Symmetric (C2v) Electrophilic Attachment of Chlorine to Ethylene in Aqueous Solution 149
FREE-ENERGIES AND STRUCTURES OF HYDRATED CATIONS, BASED ON EFFECTIVE PAIR POTENTIALS 148
Solubility of water in liquid hydrocarbons: a bridge between the polarizable continuum model and the mobile order theory 147
Extending the polarizable continuum model to effective ab initio pair potentials in multicomponent solutions: A test on calcium-water and calcium-ammonia potentials 146
On the effect of solute-solvent Pauli repulsion on n → π* transition for acrolein in water solution 142
Hydration shell structure of the calcium ion from simulations with ab initio effective pair potentials. 139
MCSCF Study of Chemical Reactions in Solution within the Polarizable Continuum Model and VB Analysis of the Reaction Mechanism 138
Free energy and entropy for inserting cavities in water: Comparison of Monte Carlo simulation and scaled particle theory results 136
Theoretical study of the proton transfer between water and [FeH(C0)4]- in aqueous solution and relevance to the water gas shift reaction catalyzed by iron penta-carbonyl in the condensed phase 133
Solvent Effects on Excited-State Structures: A Quantum Monte Carlo and Density Functional Study 130
Quantum Monte Carlo formulation of volume polarization in dielectric continuum theory 128
Critical conditions (zero ionization potential) in model N_2-like molecular ions 126
Degenerate lithium-hydrogen exchange reactions: an alternative mechanism for metalation of CH4 in gas phase and in THF solution 123
Erratum:Note: Volume errors and equimolar surfaces? [J. Chem. Phys. 136, 116102 (2012)] 122
Evaluation of dispersion-repulsion contributions to the solvation energy. Calibration of the uniform approximation with the aiad of RISM calculations 121
Method to Compute the Solute-Solvent Dispersion Contribution to the Electronic Excitation Energy in Solution 119
A study of aqueous solutions of lanthanide ions by molecular dynamics simulation with effective pair potentials 107
Calculation of potential energy surfaces with quantum Monte Carlo as a useful tool for the design of green chemical syntheses: The HOCO radical test case. 105
Poster P15: Excited states of molecular solutes with Quantum Monte Carlo: vertical transition and geometry optimization 103
Intermolecular Pauli repulsion: a QMC study of molecules in ground and excited state in free space and in solution 97
Debrecen, DFT15 Poster: Localized polycentric orbital basis set for Quantum Monte Carlo calculations derived from the decomposition of Kohn-Sham optimized orbitals 93
Tallberg, DFT17 Poster A20: Shannon entropy and correlation energy for electrons in atoms 91
How increasing pressure affects the ion hydration structure and shell properties at ambient temperature 89
null 84
Poster 0157: A novel continuum model for the calculation of solute-solvent dispersion contribution to the electronic excitation energy in solution. 79
Ionic hydration at ambient and higher pressures: Computed chemical potentials from simulations and finite-size effects 66
A density functional and quantum Monte Carlo study of glutamic acid in vacuo and in a dielectric continuum medium 64
Hydrophilic Versus Hydrophobic Coupling in the Pressure Dependence of the Chemical Potential of Alkali Metal and Halide Ions in Water 56
Totale 7.783
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Categoria #
all - tutte 20.899
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 20.899
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/202189 0 0 0 0 0 0 0 0 0 0 27 62
2021/2022570 25 17 38 35 76 72 30 33 18 28 27 171
2022/2023661 75 74 27 120 63 94 13 53 108 1 25 8
2023/2024337 37 26 32 13 52 74 4 16 6 19 14 44
2024/20251.682 10 69 10 69 205 185 172 51 128 186 163 434
2025/20261.312 55 211 177 49 104 150 232 87 95 144 8 0
Totale 7.783