CINECA IRIS Institutional Research Information System

FLORIS, FRANCA MARIA
 Distribuzione geografica
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Continente #
NA - Nord America 4.057
AS - Asia 1.327
EU - Europa 1.193
SA - Sud America 261
AF - Africa 53
OC - Oceania 5
Totale 6.896
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Nazione #
US - Stati Uniti d'America 3.964
CN - Cina 442
IT - Italia 412
SG - Singapore 266
HK - Hong Kong 256
BR - Brasile 217
DE - Germania 174
SE - Svezia 171
BG - Bulgaria 118
TR - Turchia 102
CA - Canada 70
GB - Regno Unito 70
VN - Vietnam 65
RU - Federazione Russa 60
FI - Finlandia 58
UA - Ucraina 49
IN - India 45
KR - Corea 43
BD - Bangladesh 26
FR - Francia 24
JP - Giappone 22
SN - Senegal 17
BE - Belgio 16
AR - Argentina 14
PK - Pakistan 13
CH - Svizzera 12
ZA - Sudafrica 11
ES - Italia 9
MX - Messico 9
IQ - Iraq 7
SA - Arabia Saudita 7
CO - Colombia 6
CZ - Repubblica Ceca 6
KE - Kenya 6
AU - Australia 5
DZ - Algeria 5
ID - Indonesia 5
UY - Uruguay 5
VE - Venezuela 5
AE - Emirati Arabi Uniti 4
CL - Cile 4
EC - Ecuador 4
JO - Giordania 4
AT - Austria 3
BB - Barbados 3
IE - Irlanda 3
KZ - Kazakistan 3
MA - Marocco 3
AZ - Azerbaigian 2
BJ - Benin 2
BO - Bolivia 2
CR - Costa Rica 2
EG - Egitto 2
JM - Giamaica 2
LB - Libano 2
PL - Polonia 2
PR - Porto Rico 2
PY - Paraguay 2
SY - Repubblica araba siriana 2
TN - Tunisia 2
UZ - Uzbekistan 2
BS - Bahamas 1
DK - Danimarca 1
ET - Etiopia 1
GA - Gabon 1
GE - Georgia 1
GH - Ghana 1
GY - Guiana 1
HU - Ungheria 1
KW - Kuwait 1
KY - Cayman, isole 1
LU - Lussemburgo 1
MD - Moldavia 1
MG - Madagascar 1
MV - Maldive 1
MY - Malesia 1
NG - Nigeria 1
NL - Olanda 1
NP - Nepal 1
OM - Oman 1
PA - Panama 1
PE - Perù 1
PH - Filippine 1
PS - Palestinian Territory 1
RS - Serbia 1
SV - El Salvador 1
TH - Thailandia 1
TT - Trinidad e Tobago 1
Totale 6.896
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Città #
Woodbridge 544
Fairfield 420
Ashburn 327
Ann Arbor 302
Houston 284
Santa Clara 269
Hong Kong 250
Chandler 223
Seattle 201
Serra 158
Wilmington 158
Singapore 148
Cambridge 146
Dallas 120
Sofia 118
Beijing 109
Shanghai 89
Izmir 70
Hefei 68
New York 64
Jacksonville 62
Los Angeles 62
Princeton 58
Ottawa 57
Boardman 55
Milan 50
Lawrence 49
Seoul 43
Medford 42
Livorno 39
Bremen 37
San Diego 33
Dearborn 32
Nanjing 31
Des Moines 30
Council Bluffs 26
Istanbul 23
Munich 22
Marseille 20
Buffalo 19
São Paulo 18
Columbus 17
Dakar 17
Dong Ket 17
Boulder 16
Pune 16
Nanchang 15
Pisa 15
Redondo Beach 15
Brussels 14
Tokyo 14
Rio de Janeiro 12
The Dalles 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
Helsinki 7
Jüchen 7
Kunming 7
Falls Church 6
Florence 6
Shenyang 6
Brasília 5
Ho Chi Minh City 5
Lanzhou 5
Leawood 5
Montevideo 5
Nairobi 5
New Delhi 5
Amman 4
Curitiba 4
Enterprise 4
Hangzhou 4
Jiaxing 4
Johannesburg 4
Manchester 4
Orange 4
Rome 4
Salvador 4
Toronto 4
Ankara 3
Anápolis 3
Auburn Hills 3
Barbacena 3
Bridgetown 3
Brooklyn 3
Campo Grande 3
Cape Town 3
Chicago 3
Totale 5.320
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Nome #
Excess densities and equimolar surfaces for spherical cavities in water 229
Dispersion and repulsion contributions to the solvation energy: refinements to a simple computational model in the continuum approximation 226
Theoretical determination of the Gibbs energy of solution and transfer between immiscible solvents, with comments on the dynamics of phase transfer 217
ABINITIO EFFECTIVE PAIR POTENTIALS FOR SIMULATIONS OF THE LIQUID-STATE, BASED ON THE POLARIZABLE CONTINUUM MODEL OF THE SOLVENT 215
A computational ab initio model for the evaluation of thermodynamic functions for solvent transfer processes 203
Modeling the Cavitation Free Energy 190
MCSCF study of the S(N)2 Menshutkin reaction in aqueous solution within the polarizable continuum model 188
Evaluation of the dispersion contribution to the solvation energy. Computational model in the continuum approximation 186
Coupling Quantum Monte Carlo to a Nonlinear Polarizable Continuum Model for Spherical Solutes 175
Nonideal Effects on the Excess Volume from Small to Large Cavities in TIP4P water 170
Introducing QMC/MMpol: Quantum Monte Carlo in Polarizable Force Fields for Excited States 169
Study of dispersion forces with Quantum Monte Carlo: toward a continuum model for solvation 165
A MCSCF study of the SN2 Menshutkin reaction in Aqueous Solution within the Polarizable Continuum Model 161
Shannon Entropy in Atoms: A Test for the Assessment of Density Functionals in Kohn-Sham Theory 157
Effect of increasing pressure on excess volumes for cavities in TIP4P water 156
Localized Polycentric Orbital Basis Set for Quantum Monte Carlo Calculations Derived from the Decomposition of Kohn-Sham Optimized Orbitals 155
Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: Acrolein in water 153
Excess Volumes from the Pressure Derivative of the Excess Chemical Potential: Testing Simple Models for Cavity Formation in Water 149
Shannon entropy and correlation energy for electrons in atoms 148
Volume Errors and equimolar surfaces 146
Interaction potentials for small molecules 143
Ab initio effective pair potentials for simulations of the liquid state, based on the polarizable continuum model of the solvent 141
Solubility of water in liquid hydrocarbons: a bridge between the polarizable continuum model and the mobile order theory 138
Extending the polarizable continuum model to effective ab initio pair potentials in multicomponent solutions: A test on calcium-water and calcium-ammonia potentials 133
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 133
Preferential solvation of Ca(2+) in aqueous solutions containing ammonia: A Molecular dynamics study 132
Theoretical Modeling of the Symmetric (C2v) Electrophilic Attachment of Chlorine to Ethylene in Aqueous Solution 132
A study of aqueous solutions of lanthanide ions by molecular dynamics simulation with ab initio effective pair potentials 131
MCSCF Study of Chemical Reactions in Solution within the Polarizable Continuum Model and VB Analysis of the Reaction Mechanism 128
FREE-ENERGIES AND STRUCTURES OF HYDRATED CATIONS, BASED ON EFFECTIVE PAIR POTENTIALS 126
Hydration shell structure of the calcium ion from simulations with ab initio effective pair potentials. 124
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 121
Quantum Monte Carlo formulation of volume polarization in dielectric continuum theory 120
Solvent Effects on Excited-State Structures: A Quantum Monte Carlo and Density Functional Study 120
On the effect of solute-solvent Pauli repulsion on n → π* transition for acrolein in water solution 120
Free energy and entropy for inserting cavities in water: Comparison of Monte Carlo simulation and scaled particle theory results 119
Erratum:Note: Volume errors and equimolar surfaces? [J. Chem. Phys. 136, 116102 (2012)] 111
Critical conditions (zero ionization potential) in model N_2-like molecular ions 108
Degenerate lithium-hydrogen exchange reactions: an alternative mechanism for metalation of CH4 in gas phase and in THF solution 106
Evaluation of dispersion-repulsion contributions to the solvation energy. Calibration of the uniform approximation with the aiad of RISM calculations 104
Method to Compute the Solute-Solvent Dispersion Contribution to the Electronic Excitation Energy in Solution 97
A study of aqueous solutions of lanthanide ions by molecular dynamics simulation with effective pair potentials 93
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. 89
Poster P15: Excited states of molecular solutes with Quantum Monte Carlo: vertical transition and geometry optimization 85
null 84
Intermolecular Pauli repulsion: a QMC study of molecules in ground and excited state in free space and in solution 84
Debrecen, DFT15 Poster: Localized polycentric orbital basis set for Quantum Monte Carlo calculations derived from the decomposition of Kohn-Sham optimized orbitals 83
Tallberg, DFT17 Poster A20: Shannon entropy and correlation energy for electrons in atoms 69
How increasing pressure affects the ion hydration structure and shell properties at ambient temperature 63
Poster 0157: A novel continuum model for the calculation of solute-solvent dispersion contribution to the electronic excitation energy in solution. 62
A density functional and quantum Monte Carlo study of glutamic acid in vacuo and in a dielectric continuum medium 53
Ionic hydration at ambient and higher pressures: Computed chemical potentials from simulations and finite-size effects 41
Hydrophilic Versus Hydrophobic Coupling in the Pressure Dependence of the Chemical Potential of Alkali Metal and Halide Ions in Water 40
Totale 6.991
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Categoria #
all - tutte 19.140
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 19.140
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021395 0 0 0 0 38 13 52 53 71 79 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
2025/2026520 55 211 177 49 28 0 0 0 0 0 0 0
Totale 6.991