CARDINI, GIANNI
 Distribuzione geografica
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Continente #
NA - Nord America 9.824
EU - Europa 4.789
AS - Asia 968
AF - Africa 52
Continente sconosciuto - Info sul continente non disponibili 6
SA - Sud America 2
OC - Oceania 1
Totale 15.642
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Nazione #
US - Stati Uniti d'America 9.803
RU - Federazione Russa 1.671
IT - Italia 626
SE - Svezia 533
IE - Irlanda 531
UA - Ucraina 418
SG - Singapore 329
HK - Hong Kong 298
PL - Polonia 261
DE - Germania 243
GB - Regno Unito 199
CN - Cina 164
FI - Finlandia 141
IN - India 71
CH - Svizzera 58
TR - Turchia 42
JO - Giordania 35
FR - Francia 31
SC - Seychelles 30
BE - Belgio 23
AT - Austria 21
CA - Canada 21
CI - Costa d'Avorio 19
NL - Olanda 13
JP - Giappone 12
ES - Italia 8
PT - Portogallo 8
EU - Europa 6
VN - Vietnam 6
PK - Pakistan 3
ID - Indonesia 2
IR - Iran 2
LK - Sri Lanka 2
MU - Mauritius 2
NO - Norvegia 2
AU - Australia 1
BR - Brasile 1
CL - Cile 1
CM - Camerun 1
CZ - Repubblica Ceca 1
LU - Lussemburgo 1
TJ - Tagikistan 1
TW - Taiwan 1
Totale 15.642
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Città #
Fairfield 1.483
Santa Clara 1.403
Woodbridge 630
Jacksonville 607
Seattle 607
Ashburn 601
Chandler 599
Cambridge 559
Houston 531
Dublin 529
Wilmington 468
Warsaw 260
Singapore 244
Ann Arbor 229
Altamura 207
Lawrence 197
Hong Kong 173
Florence 163
Princeton 159
Boston 107
Boardman 95
Buffalo 78
San Diego 78
Medford 64
Mumbai 61
Bern 55
Shanghai 52
Beijing 45
Izmir 39
Moscow 31
Norwalk 26
Milan 24
Brussels 23
Kent 23
Frankfurt Am Main 22
New York 21
Vienna 20
Abidjan 19
West Jordan 18
Los Angeles 17
Andover 16
Falls Church 16
Verona 16
Auburn Hills 15
Hillsboro 15
Romola 14
Osaka 12
Saint Petersburg 11
Yubileyny 11
Bologna 10
Scuola 10
London 9
Munich 8
Redwood City 8
Barcelona 7
Salerno 7
Berkeley 6
Dong Ket 6
Guangzhou 6
Kilburn 6
Pune 6
Québec 6
Toronto 6
Helsinki 5
Bremen 4
Philadelphia 4
Tappahannock 4
Chiswick 3
Gujranwala 3
Huzhou 3
Laurel 3
Ottawa 3
Rome 3
Jakarta 2
Le Casine-Perignano-Spinelli 2
Lecce 2
Livorno 2
Montréal 2
Oxford 2
Palermo 2
Parma 2
Phoenix 2
Prescot 2
Rufina 2
Scandicci 2
Turin 2
Zurich 2
Acton 1
Alba 1
Americana 1
Ardabil 1
Aylmer 1
Barnet 1
Basel 1
Brampton 1
Brest 1
Busto Arsizio 1
Camaiore 1
Campi Bisenzio 1
Castelfiorentino 1
Totale 10.870
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Nome #
Implementations of nonequilibrium methods for free energy calculations: forthcoming developments of the ORAC molecular dynamics simulation code 212
New atomistic model of pyrrole with improved liquid state properties and structure 205
Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method 190
Insights on the Realgar Crystal Under Pressure from XP-PCM and Periodic Model Calculations 172
Ab initio molecular dynamics study of Mg2+ and Ca2+ ions in liquid methanol 165
Anharmonic infrared and Raman spectra in Car-Parrinello molecular dynamics simulations 160
Bifurcated Hydrogen Bond in Lithium Nitrate Trihydrate Probed by ab Initio Molecular Dynamics 158
Annealed importance sampling with constant cooling rate 151
Conformational distribution of gas-phase glycerol 150
Imidazole in Aqueous Solution: Hydrogen Bond Interactions and Structural Reorganization with Concentration 149
DENSITY FUNCTIONAL STUDY ON THE ADSORPTION OF PYRAZOLE ONTO SILVER COLLOIDAL PARTICLES 144
Combining path-breaking with bidirectional nonequilibrium simulations to improve efficiency in free energy calculations 144
Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Theoretical Framework 143
Anharmonic lattice dynamics and computer simulation for simple model systems 142
Simulated structure, dynamics and vibrational spectra of liquid benzene 141
Molecular dynamics of glass-forming liquids: Structure and dynamics of liquid metatoluidine 140
Hydrogen bond dynamics of methyl acetate in methanol 139
An ab-initio molecular dynamics study of the SN2 reaction Cl- + CH3Br -> CH3Cl + Br- 138
A combined Raman, DFT and MD study of the solvation dynamics and the adsorption process of pyridine in silver hydrosols 134
The fast dynamics of benzene in the liquid phase. Part II. A molecular dynamics simulation 133
Density functional calculation of structural and vibrational properties of glycerol 132
A density functional study of the SERS spectra of pyridine adsorbed on silver clusters 130
Dynamical and structural correlation in supercooled liquids: a molecular dynamics investigation of m-toluidine 130
A molecular dynamics study of the CO2 / NaCl(001) system. 127
Problems in molecular dynamics of condensed phases 127
A molecular dynamics study of translational-rotation coupling in the NaCN plastic cystal 127
Wavelet Transform for Spectroscopic Analysis: Application to Diols in Water 127
Ab Initio Molecular Dynamics Study of the Hydrolysis Reaction of Diborane 125
Car-Parrinello Molecular Dynamics on the SN2 reaction Cl- + CH3Br in water 124
Ab-initio molecular dynamics study of the potential energy surface for the CH3Cl + F- reaction 124
Calculation of the elastic coherent neutron scattering spectra from molecular dynamics data: the NaCN plastic crystal 123
Spectroscopy and monitoring of high pressure phenomena 123
Path-breaking schemes for nonequilibrium free energy calculations 123
Computing Free Energy Differences of Configurational Basins 123
Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Illustrative Calculations and Numerical Validation 123
A vibrational potential function for molecular dynamics simulation of buckminsterfullerene 123
Computational Investigation of the Selective Cleavage of Diastereotopic Cyclopropane Bonds in 5-Spirocyclopropane Isoxazolidines Rearrangement 123
Interaction between aromatic residues. Molecular dynamics and ab initio exploration of the potential energy surface of the tryptophan-histidine pair 121
Erratum: “Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method” [J. Chem. Phys. 111, 4218 (1999)] 120
A molecular-dynamics study of the isotopic substitution effects on the lineshape of an internal mode in a molecular crystal 119
Molecular dynamics and head-tail disorder in the Raman spectrum of crystalline N2O 119
Correspondence between light-absorption spectrum and nonequilibrium work distribution as a mean to access free energy differences between electronic states 119
XP-PCM Calculations of High Pressure Structural and Vibrational Properties of P4S3 118
A multi-technique approach to predicting the molecular structure of cuprizone in the gas phase and in the crystalline state 118
SERS and DFT study on 4-methylpyridine adsorbed on silver colloids and electrodes 117
Glycerol condensed phases Part I. A molecular dynamics study 117
AB-INITIO MOLECULAR DYNAMICS STUDY OF THE SN2 REACTION Cl- + ClCH2CN 116
Density functional calculation of structure and vibrational spectra of polyenes 116
Solvation dynamics of Li+ and Cl- ions in liquid methanol 116
Role of surface metal clusters in SERS spectra of ligands adsorbed on Ag colloidal nanoparticles 113
Polarization response of water and methanol investigated by a polarizable force field and density functional theory calculations: Implications for charge transfer 113
DFT investigation on the SERS band at ~1025 cm-1 of pyridine adsorbed on silver 112
An intramolecular potential for S8 111
Car-Parrinello Molecular Dynamics on the SN2 reaction Cl- + CH3Br in water 111
DFT calculations of the IR and Raman spectra of anthraquinone dyes and lakes 111
Lithium hydroxide phase transition under high pressure: an ab initio molecular dynamics study 110
Mechanism of the Ethylene Polymerization at Very High Pressure 110
The solvation dynamics of Na+ and K+ ions in liquid methanol 109
Hydrogen bond effects in the vibrational spectra of 1,3-propanediol in acetonitrile: Ab initio and experimental study 109
Solvation Dynamics and Adsorption on Ag Hydrosols of Oxazole: A Raman and Computational Study 109
Vibrational relaxation and dephasing of two-phonon bound states in molecular crystals 108
Nonequilibrium candidate Monte Carlo simulations with configurational freezing schemes 108
Nitromethane decomposition under high static pressure 107
Regioselective Deuteration of a 3,4-Dialkoxypyrroline N-Oxide and Synthesis of 8a-d-Indolizidines 107
Dynamics of a Monolayer of Nitrogen Physisorbed on Graphite 106
The HCl stretching vibration in HCl/DCl Mixed Crystal 106
Spectroscopic properties with a combined approach of ab initio molecular dynamics and wavelet analysis 106
Raman and infrared spectra of minerals from ab initio molecular dynamics simulations: The spodumene crystal 106
Characterization of a Langmuir-Blodgett Monolayer using Molecular Dynamics Calculations 105
Structure and Dynamics of carbon dioxide clusters: a Molecular Dynamics study 105
Charge separation and polymerization of hydrocarbons at ultrahigh pressure 105
Ab initio molecular dynamics study of aqueous formaldehyde and methanediol 104
Dispersion of Surface Phonons in Xenon Overlayers Physisorbed on the Ag (111) Surface 103
Structure and dynamics of Br- ion in liquid methanol 103
Structural and Vibrational Properties of Arsenic Sulfides: Alacranite (As8S9) 102
Free volume from molecular dynamics simulations and its relationships to the positron annihilation lifetime spectroscopy 102
Recursive Computation of Many-Phonon Densities of States 102
Solid-State Phase Transition Induced by Pressure in LiOH.H2O 102
THE VIBRATIONAL SPECTRA OF PHOSPHOROUS OXYNITRIDE AT HIGH PRESSURES 101
Vibrational frequencies of C70 101
Surface-enhanced Raman spectra of pyridine and pyrazolide on silver colloids: chemical and electromagnetic effects 101
Computer-Simulation Of The Dynamics Of The Plastic Phase Of Succinonitrile 101
Microsolvation effect on chemical reactivity: the case of Cl- + CH3Br SN2 reaction 101
A molecular dynamics simulation of the plastic phase (I) of cyclopentane 101
Molecular Dynamics simulation of the vibrational properties of disordered N2O crystal: I Lattice frequencies 100
Glycerol condensed phases part II. A molecular dynamics study of the conformational structure and hydrogen bonding 100
Gas-Surface Potentials and the Dynamics of Overlayers 100
Vibrational relaxation and dephasing of Fermi resonance states in molecular crystals 99
Elastic barrier dynamical freezing in free energy calculations: A way to speed up nonequilibrium molecular dynamics simulations by orders of magnitude 99
THE INFRARED AND RAMAN SPECTRA OF FULLERENE C70. DFT CALCULATIONS AND CORRELATION WITH C60 97
The fast dynamics of benzene in the liquid phase. Part I. Optical Kerr effect experimental investigation 97
Simulations in generalized ensembles through noninstantaneous switches 97
Thermal effects on the Cl- + ClCH2CN reaction by Car-Parrinello Molecular Dynamics 97
Solid and Liquid Carbon Monoxide studied with the use of constant-pressure Molecular Dynamics 96
The Substitution and Elimination Reaction of F- with C2H5Cl: An Ab-Initio Molecular Dynami cs Study 96
The Vibrational Spectrum of fullerene C60 96
Molecular dynamics and anharmonic effects in the phonon spectra of solid carbon dioxide 96
Nonequilibrium work theorems applied to transitions between configurational domains 96
On the vibrational assignment of fullerene C60 96
High pressure reactivity of propene by first principles molecular dynamics calculations 95
Totale 11.928
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Categoria #
all - tutte 43.042
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 43.042
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20202.135 0 0 0 0 282 382 300 373 346 161 225 66
2020/20211.852 160 212 226 149 33 224 54 182 116 249 89 158
2021/20221.079 62 129 95 39 33 35 55 84 33 49 231 234
2022/20232.598 245 550 74 225 192 463 343 135 210 16 76 69
2023/2024836 55 117 163 40 51 66 49 202 6 30 37 20
2024/20253.961 212 692 435 899 1.723 0 0 0 0 0 0 0
Totale 15.824