CINECA IRIS Institutional Research Information System

FLORIS, FRANCA MARIA
 Distribuzione geografica
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Continente #
NA - Nord America 4.431
AS - Asia 1.698
EU - Europa 1.347
SA - Sud America 307
AF - Africa 60
OC - Oceania 6
Totale 7.849
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Nazione #
US - Stati Uniti d'America 4.330
SG - Singapore 498
IT - Italia 487
CN - Cina 479
HK - Hong Kong 261
BR - Brasile 243
DE - Germania 176
SE - Svezia 171
BG - Bulgaria 119
TR - Turchia 103
VN - Vietnam 102
CA - Canada 75
FR - Francia 73
GB - Regno Unito 73
FI - Finlandia 63
RU - Federazione Russa 61
IN - India 58
UA - Ucraina 49
KR - Corea 43
JP - Giappone 41
BD - Bangladesh 29
AR - Argentina 22
CH - Svizzera 22
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
UY - Uruguay 7
AU - Australia 6
CZ - Repubblica Ceca 6
ID - Indonesia 6
KE - Kenya 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 7.849
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Città #
Woodbridge 544
Fairfield 420
Ashburn 361
Ann Arbor 302
Singapore 289
Houston 285
Santa Clara 269
Hong Kong 254
Chandler 223
Seattle 203
San Jose 201
Serra 158
Wilmington 158
Cambridge 146
Dallas 120
Sofia 118
Beijing 113
Shanghai 90
Izmir 70
Hefei 68
Los Angeles 66
New York 64
Jacksonville 62
Milan 61
Princeton 58
Ottawa 57
Boardman 56
Lawrence 50
Lauterbourg 45
Columbus 43
Seoul 43
Medford 42
Livorno 39
Bremen 37
Council Bluffs 35
San Diego 33
Dearborn 32
Tokyo 32
Nanjing 31
Des Moines 30
Istanbul 24
Munich 22
Buffalo 21
Marseille 21
São Paulo 20
Dakar 17
Dong Ket 17
Ho Chi Minh City 17
Pisa 17
Boulder 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
Montevideo 6
Rome 6
Shenyang 6
Amman 5
Brasília 5
Curitiba 5
Genoa 5
Lanzhou 5
Leawood 5
Nairobi 5
Toronto 5
Brooklyn 4
Enterprise 4
Hangzhou 4
Jiaxing 4
Johannesburg 4
Montreal 4
Orange 4
Riyadh 4
Salvador 4
Totale 5.879
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Nome #
Excess densities and equimolar surfaces for spherical cavities in water 248
Dispersion and repulsion contributions to the solvation energy: refinements to a simple computational model in the continuum approximation 240
Theoretical determination of the Gibbs energy of solution and transfer between immiscible solvents, with comments on the dynamics of phase transfer 232
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 204
MCSCF study of the S(N)2 Menshutkin reaction in aqueous solution within the polarizable continuum model 200
Coupling Quantum Monte Carlo to a Nonlinear Polarizable Continuum Model for Spherical Solutes 198
Evaluation of the dispersion contribution to the solvation energy. Computational model in the continuum approximation 196
Shannon Entropy in Atoms: A Test for the Assessment of Density Functionals in Kohn-Sham Theory 189
Study of dispersion forces with Quantum Monte Carlo: toward a continuum model for solvation 186
Introducing QMC/MMpol: Quantum Monte Carlo in Polarizable Force Fields for Excited States 184
Nonideal Effects on the Excess Volume from Small to Large Cavities in TIP4P water 180
Effect of increasing pressure on excess volumes for cavities in TIP4P water 179
Shannon entropy and correlation energy for electrons in atoms 171
Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: Acrolein in water 170
A MCSCF study of the SN2 Menshutkin reaction in Aqueous Solution within the Polarizable Continuum Model 169
Localized Polycentric Orbital Basis Set for Quantum Monte Carlo Calculations Derived from the Decomposition of Kohn-Sham Optimized Orbitals 168
Volume Errors and equimolar surfaces 165
Excess Volumes from the Pressure Derivative of the Excess Chemical Potential: Testing Simple Models for Cavity Formation in Water 162
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 161
Ab initio effective pair potentials for simulations of the liquid state, based on the polarizable continuum model of the solvent 159
Interaction potentials for small molecules 158
On the effect of solute-solvent Pauli repulsion on n → π* transition for acrolein in water solution 154
FREE-ENERGIES AND STRUCTURES OF HYDRATED CATIONS, BASED ON EFFECTIVE PAIR POTENTIALS 153
Theoretical Modeling of the Symmetric (C2v) Electrophilic Attachment of Chlorine to Ethylene in Aqueous Solution 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
Solubility of water in liquid hydrocarbons: a bridge between the polarizable continuum model and the mobile order theory 148
Extending the polarizable continuum model to effective ab initio pair potentials in multicomponent solutions: A test on calcium-water and calcium-ammonia potentials 146
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
Method to Compute the Solute-Solvent Dispersion Contribution to the Electronic Excitation Energy in Solution 137
Free energy and entropy for inserting cavities in water: Comparison of Monte Carlo simulation and scaled particle theory results 137
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 131
Quantum Monte Carlo formulation of volume polarization in dielectric continuum theory 130
Critical conditions (zero ionization potential) in model N_2-like molecular ions 130
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
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. 113
A study of aqueous solutions of lanthanide ions by molecular dynamics simulation with effective pair potentials 108
Intermolecular Pauli repulsion: a QMC study of molecules in ground and excited state in free space and in solution 105
Poster P15: Excited states of molecular solutes with Quantum Monte Carlo: vertical transition and geometry optimization 104
Tallberg, DFT17 Poster A20: Shannon entropy and correlation energy for electrons in atoms 100
Poster 0157: A novel continuum model for the calculation of solute-solvent dispersion contribution to the electronic excitation energy in solution. 96
Debrecen, DFT15 Poster: Localized polycentric orbital basis set for Quantum Monte Carlo calculations derived from the decomposition of Kohn-Sham optimized orbitals 94
How increasing pressure affects the ion hydration structure and shell properties at ambient temperature 91
null 84
Ionic hydration at ambient and higher pressures: Computed chemical potentials from simulations and finite-size effects 67
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 57
Totale 7.944
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Categoria #
all - tutte 21.902
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 21.902
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
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
2025/20261.465 55 211 177 49 104 150 232 87 95 144 43 118
2026/20278 8 0 0 0 0 0 0 0 0 0 0 0
Totale 7.944