CARDINI, GIANNI
 Distribuzione geografica
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Continente #
NA - Nord America 8.032
EU - Europa 3.101
AS - Asia 571
AF - Africa 33
Continente sconosciuto - Info sul continente non disponibili 6
SA - Sud America 2
OC - Oceania 1
Totale 11.746
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Nazione #
US - Stati Uniti d'America 8.011
IT - Italia 575
SE - Svezia 533
IE - Irlanda 531
UA - Ucraina 413
HK - Hong Kong 297
PL - Polonia 261
DE - Germania 234
GB - Regno Unito 199
FI - Finlandia 135
CN - Cina 116
RU - Federazione Russa 61
CH - Svizzera 58
SG - Singapore 43
TR - Turchia 42
JO - Giordania 35
FR - Francia 31
SC - Seychelles 30
BE - Belgio 22
CA - Canada 21
AT - Austria 20
JP - Giappone 12
IN - India 10
ES - Italia 8
NL - Olanda 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
Totale 11.746
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Città #
Fairfield 1.483
Woodbridge 630
Jacksonville 607
Seattle 607
Chandler 599
Ashburn 598
Cambridge 559
Houston 531
Dublin 529
Wilmington 468
Warsaw 260
Ann Arbor 229
Altamura 207
Lawrence 197
Hong Kong 172
Princeton 159
Florence 144
Boston 107
Boardman 95
Buffalo 78
San Diego 78
Medford 64
Bern 55
Shanghai 48
Beijing 45
Izmir 39
Norwalk 26
Singapore 25
Milan 24
Kent 23
Brussels 22
Frankfurt Am Main 22
New York 21
Vienna 20
West Jordan 18
Andover 16
Falls Church 16
Verona 16
Auburn Hills 15
Hillsboro 15
Los Angeles 15
Osaka 12
Saint Petersburg 11
Bologna 10
Scuola 10
London 9
Redwood City 8
Barcelona 7
Moscow 7
Salerno 7
Berkeley 6
Dong Ket 6
Kilburn 6
Pune 6
Québec 6
Toronto 6
Bremen 4
Guangzhou 4
Philadelphia 4
Tappahannock 4
Chiswick 3
Gujranwala 3
Huzhou 3
Laurel 3
Ottawa 3
Rome 3
Jakarta 2
Le Casine-Perignano-Spinelli 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
Central 1
Clamart 1
Colombo 1
Coppito 1
Dallas 1
Detroit 1
Edinburgh 1
Enfield 1
Totale 9.080
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Nome #
Implementations of nonequilibrium methods for free energy calculations: forthcoming developments of the ORAC molecular dynamics simulation code 181
New atomistic model of pyrrole with improved liquid state properties and structure 179
Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method 162
Insights on the Realgar Crystal Under Pressure from XP-PCM and Periodic Model Calculations 149
Ab initio molecular dynamics study of Mg2+ and Ca2+ ions in liquid methanol 136
Imidazole in Aqueous Solution: Hydrogen Bond Interactions and Structural Reorganization with Concentration 129
Conformational distribution of gas-phase glycerol 124
Anharmonic infrared and Raman spectra in Car-Parrinello molecular dynamics simulations 123
DENSITY FUNCTIONAL STUDY ON THE ADSORPTION OF PYRAZOLE ONTO SILVER COLLOIDAL PARTICLES 120
Bifurcated Hydrogen Bond in Lithium Nitrate Trihydrate Probed by ab Initio Molecular Dynamics 120
Hydrogen bond dynamics of methyl acetate in methanol 118
Molecular dynamics of glass-forming liquids: Structure and dynamics of liquid metatoluidine 115
Annealed importance sampling with constant cooling rate 115
Simulated structure, dynamics and vibrational spectra of liquid benzene 113
Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Theoretical Framework 112
Density functional calculation of structural and vibrational properties of glycerol 111
Combining path-breaking with bidirectional nonequilibrium simulations to improve efficiency in free energy calculations 110
An ab-initio molecular dynamics study of the SN2 reaction Cl- + CH3Br -> CH3Cl + Br- 109
Dynamical and structural correlation in supercooled liquids: a molecular dynamics investigation of m-toluidine 104
Anharmonic lattice dynamics and computer simulation for simple model systems 103
A combined Raman, DFT and MD study of the solvation dynamics and the adsorption process of pyridine in silver hydrosols 102
Spectroscopy and monitoring of high pressure phenomena 102
The fast dynamics of benzene in the liquid phase. Part II. A molecular dynamics simulation 101
A density functional study of the SERS spectra of pyridine adsorbed on silver clusters 100
A molecular dynamics study of the CO2 / NaCl(001) system. 98
Solvation dynamics of Li+ and Cl- ions in liquid methanol 98
SERS and DFT study on 4-methylpyridine adsorbed on silver colloids and electrodes 97
Interaction between aromatic residues. Molecular dynamics and ab initio exploration of the potential energy surface of the tryptophan-histidine pair 97
Wavelet Transform for Spectroscopic Analysis: Application to Diols in Water 97
Ab Initio Molecular Dynamics Study of the Hydrolysis Reaction of Diborane 96
XP-PCM Calculations of High Pressure Structural and Vibrational Properties of P4S3 96
Problems in molecular dynamics of condensed phases 95
A molecular dynamics study of translational-rotation coupling in the NaCN plastic cystal 95
A molecular-dynamics study of the isotopic substitution effects on the lineshape of an internal mode in a molecular crystal 94
Erratum: “Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method” [J. Chem. Phys. 111, 4218 (1999)] 93
A vibrational potential function for molecular dynamics simulation of buckminsterfullerene 93
Computational Investigation of the Selective Cleavage of Diastereotopic Cyclopropane Bonds in 5-Spirocyclopropane Isoxazolidines Rearrangement 93
Ab-initio molecular dynamics study of the potential energy surface for the CH3Cl + F- reaction 92
Molecular dynamics and head-tail disorder in the Raman spectrum of crystalline N2O 92
DFT investigation on the SERS band at ~1025 cm-1 of pyridine adsorbed on silver 91
Lithium hydroxide phase transition under high pressure: an ab initio molecular dynamics study 91
Computing Free Energy Differences of Configurational Basins 91
Polarization response of water and methanol investigated by a polarizable force field and density functional theory calculations: Implications for charge transfer 91
Role of surface metal clusters in SERS spectra of ligands adsorbed on Ag colloidal nanoparticles 90
Car-Parrinello Molecular Dynamics on the SN2 reaction Cl- + CH3Br in water 90
Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Illustrative Calculations and Numerical Validation 90
Calculation of the elastic coherent neutron scattering spectra from molecular dynamics data: the NaCN plastic crystal 89
AB-INITIO MOLECULAR DYNAMICS STUDY OF THE SN2 REACTION Cl- + ClCH2CN 89
Density functional calculation of structure and vibrational spectra of polyenes 89
Charge separation and polymerization of hydrocarbons at ultrahigh pressure 89
A multi-technique approach to predicting the molecular structure of cuprizone in the gas phase and in the crystalline state 89
Solvation Dynamics and Adsorption on Ag Hydrosols of Oxazole: A Raman and Computational Study 88
Nitromethane decomposition under high static pressure 87
Mechanism of the Ethylene Polymerization at Very High Pressure 87
Correspondence between light-absorption spectrum and nonequilibrium work distribution as a mean to access free energy differences between electronic states 87
Glycerol condensed phases Part I. A molecular dynamics study 86
Recursive Computation of Many-Phonon Densities of States 86
The solvation dynamics of Na+ and K+ ions in liquid methanol 85
Characterization of a Langmuir-Blodgett Monolayer using Molecular Dynamics Calculations 85
Dynamics of a Monolayer of Nitrogen Physisorbed on Graphite 84
Dispersion of Surface Phonons in Xenon Overlayers Physisorbed on the Ag (111) Surface 84
Structure and Dynamics of carbon dioxide clusters: a Molecular Dynamics study 84
An intramolecular potential for S8 84
Vibrational relaxation and dephasing of two-phonon bound states in molecular crystals 84
Raman and infrared spectra of minerals from ab initio molecular dynamics simulations: The spodumene crystal 84
Vibrational frequencies of C70 83
The HCl stretching vibration in HCl/DCl Mixed Crystal 83
Car-Parrinello Molecular Dynamics on the SN2 reaction Cl- + CH3Br in water 82
Structure and dynamics of Br- ion in liquid methanol 82
THE VIBRATIONAL SPECTRA OF PHOSPHOROUS OXYNITRIDE AT HIGH PRESSURES 81
Molecular Dynamics simulation of the vibrational properties of disordered N2O crystal: I Lattice frequencies 81
Nonequilibrium candidate Monte Carlo simulations with configurational freezing schemes 81
DFT calculations of the IR and Raman spectra of anthraquinone dyes and lakes 80
Vibrational relaxation and dephasing of Fermi resonance states in molecular crystals 79
Hydrogen bond effects in the vibrational spectra of 1,3-propanediol in acetonitrile: Ab initio and experimental study 79
Spectroscopic properties with a combined approach of ab initio molecular dynamics and wavelet analysis 79
Gas-Surface Potentials and the Dynamics of Overlayers 79
Solid-State Phase Transition Induced by Pressure in LiOH.H2O 79
Solid and Liquid Carbon Monoxide studied with the use of constant-pressure Molecular Dynamics 78
Ab initio molecular dynamics study of aqueous formaldehyde and methanediol 78
Regioselective Deuteration of a 3,4-Dialkoxypyrroline N-Oxide and Synthesis of 8a-d-Indolizidines 78
Glycerol condensed phases part II. A molecular dynamics study of the conformational structure and hydrogen bonding 77
The Vibrational Spectrum of fullerene C60 77
Surface-enhanced Raman spectra of pyridine and pyrazolide on silver colloids: chemical and electromagnetic effects 77
On the vibrational assignment of fullerene C60 77
The Substitution and Elimination Reaction of F- with C2H5Cl: An Ab-Initio Molecular Dynami cs Study 76
Structural and Vibrational Properties of Arsenic Sulfides: Alacranite (As8S9) 76
Thermal effects on the Cl- + ClCH2CN reaction by Car-Parrinello Molecular Dynamics 76
Microsolvation effect on chemical reactivity: the case of Cl- + CH3Br SN2 reaction 76
The fast dynamics of benzene in the liquid phase. Part I. Optical Kerr effect experimental investigation 75
Path-breaking schemes for nonequilibrium free energy calculations 75
Raman Intensities of Lattice Vibrations in 2,2'-Bipyridine Crystal 75
Dynamics of registered solid xenon overlayers on graphite 74
High pressure reactivity of propene by first principles molecular dynamics calculations 74
Computer-Simulation Of The Dynamics Of The Plastic Phase Of Succinonitrile 74
THE INFRARED AND RAMAN SPECTRA OF FULLERENE C70. DFT CALCULATIONS AND CORRELATION WITH C60 73
Free volume from molecular dynamics simulations and its relationships to the positron annihilation lifetime spectroscopy 73
Molecular dynamics and anharmonic effects in the phonon spectra of solid carbon dioxide 72
Hydrogen bond dynamics in liquid methanol 72
Intermolecular interactions in the N2 - N2 dimer 71
Totale 9.340
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Categoria #
all - tutte 35.257
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 35.257
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20203.021 321 209 56 300 282 382 300 373 346 161 225 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
2023/2024838 55 117 163 40 51 66 49 202 6 30 37 22
2024/202559 59 0 0 0 0 0 0 0 0 0 0 0
Totale 11.924