CIVALLERI, Bartolomeo
 Distribuzione geografica
Continente #
NA - Nord America 12.780
EU - Europa 4.965
AS - Asia 1.809
SA - Sud America 53
AF - Africa 45
OC - Oceania 26
Continente sconosciuto - Info sul continente non disponibili 11
Totale 19.689
Nazione #
US - Stati Uniti d'America 12.703
CN - Cina 1.104
IT - Italia 1.091
DE - Germania 687
IE - Irlanda 653
UA - Ucraina 452
SE - Svezia 435
FR - Francia 368
FI - Finlandia 310
KR - Corea 215
GB - Regno Unito 210
VN - Vietnam 186
PL - Polonia 173
BE - Belgio 158
DK - Danimarca 154
IN - India 88
NL - Olanda 82
JP - Giappone 68
CA - Canada 63
RU - Federazione Russa 41
BR - Brasile 31
SG - Singapore 29
GR - Grecia 27
PT - Portogallo 24
AT - Austria 23
AU - Australia 23
HK - Hong Kong 20
ES - Italia 19
IR - Iran 19
TR - Turchia 19
NO - Norvegia 15
MX - Messico 14
CH - Svizzera 13
PH - Filippine 13
EU - Europa 11
CL - Cile 10
RO - Romania 10
ZA - Sudafrica 8
PK - Pakistan 7
TW - Taiwan 7
AR - Argentina 6
DZ - Algeria 6
EG - Egitto 6
MY - Malesia 5
NG - Nigeria 5
QA - Qatar 5
TH - Thailandia 5
ID - Indonesia 4
SN - Senegal 4
BF - Burkina Faso 3
BW - Botswana 3
CO - Colombia 3
IQ - Iraq 3
LT - Lituania 3
NZ - Nuova Zelanda 3
SI - Slovenia 3
BG - Bulgaria 2
BY - Bielorussia 2
CM - Camerun 2
CZ - Repubblica Ceca 2
ET - Etiopia 2
GH - Ghana 2
HR - Croazia 2
NP - Nepal 2
PE - Perù 2
RS - Serbia 2
SA - Arabia Saudita 2
SD - Sudan 2
AE - Emirati Arabi Uniti 1
BA - Bosnia-Erzegovina 1
BD - Bangladesh 1
CI - Costa d'Avorio 1
KZ - Kazakistan 1
LB - Libano 1
LU - Lussemburgo 1
LV - Lettonia 1
MA - Marocco 1
PS - Palestinian Territory 1
SK - Slovacchia (Repubblica Slovacca) 1
SY - Repubblica araba siriana 1
UZ - Uzbekistan 1
VE - Venezuela 1
YE - Yemen 1
Totale 19.689
Città #
Ann Arbor 4.784
Chandler 833
Beijing 768
Wilmington 688
Ashburn 676
Dublin 652
Houston 630
Fairfield 626
Torino 389
Woodbridge 371
Dearborn 290
Jacksonville 280
Seattle 260
Fremont 240
Villeurbanne 196
Cambridge 194
Princeton 191
Pisa 171
Warsaw 162
Medford 156
Nyköping 143
Brussels 126
Dong Ket 121
Munich 120
Boston 107
Buffalo 103
Redwood City 102
Frankfurt am Main 77
Milan 65
Hangzhou 59
San Diego 54
Norwalk 48
Turin 45
Guangzhou 40
Boardman 36
Verona 33
Pune 31
Toronto 30
Falls Church 26
Hefei 26
Vienna 22
Nanjing 21
Dallas 20
Helsinki 17
Kunming 17
Tokyo 17
Zhengzhou 17
Palaiseau 16
Phoenix 16
Singapore 16
London 15
Mountain View 15
New York 15
Shanghai 15
Bologna 13
Düsseldorf 13
Ghent 13
Lachine 13
Paris 13
San Mauro Torinese 13
Seoul 13
Athens 12
Chengdu 11
Oslo 11
Scuola 11
Washington 11
Des Moines 9
Groningen 9
Philadelphia 9
Rome 9
Jinan 8
Montréal 8
Padova 8
San Mateo 8
Sydney 8
Tulsa 8
Barcelona 7
Berlin 7
Central District 7
Grafing 7
Hebei 7
Los Angeles 7
Moncalieri 7
Oxford 7
São Paulo 7
Affligem 6
Chongqing 6
Genoa 6
Johannesburg 6
Modena 6
Napoli 6
Wuhan 6
Baotou 5
Doha 5
Fuzhou 5
Guiyang 5
Istanbul 5
Izmir 5
Leuven 5
Moscow 5
Totale 14.564
Nome #
Identifying the Role of Terahertz Vibrations in Metal-Organic Frameworks: From Gate-Opening Phenomenon to Shear-Driven Structural Destabilization 365
Thermodynamic modelling of Mg(BH4)2 322
CRYSTAL14: A Program for the Ab initio Investigation of Crystalline Solids 318
Metal–Organic Frameworks and Hybrid Materials: From Fundamentals to Applications 246
CRYSTAL17 244
Role of dispersive interactions in the CO adsorption on MgO(001): periodic B3LYP calculations augmented with an empirical dispersion term 236
Carbon Dioxide Adsorption in Amine-Functionalized Mixed-Ligand Metal-Organic Frameworks of UiO-66 Topology 228
Hydrogen storage of Mg–Zn mixed metal borohydrides 224
Investigation on the Decomposition Enthalpy of Novel Mixed Mg(1–x)Znx(BH4)2Borohydrides by Means of Periodic DFT Calculations 221
Benchmarking dispersion and geometrical counterpoise corrections for cost-effective large-scale DFT calculations of water adsorption on graphene 218
Oxalyl Dihydrazide Polymorphism: a Periodic Dispersion-Corrected DFT and MP2 Investigation. 216
Theoretical and experimental study on Mg(BH4) 2-Zn(BH4)2 mixed borohydrides 208
Communication: A combined periodic density functional and incremental wave-function-based approach for the dispersion-accounting time-resolved dynamics of 4He nanodroplets on surfaces: 4He/graphene 204
CRYSTAL09 198
CRYSTAL14 197
Quantum mechanical predictions to elucidate the anisotropic elastic properties of zeolitic imidazolate frameworks: ZIF-4 vs. ZIF-zni 195
AB-INITIO QM STUDY ON HYDROXYAPATITE (001) AND (100) SURFACES 191
Design and Characterization of MOFs (Metal-Organic Frameworks) for Innovative Applications 190
H2 storage in isostructural UiO-67 and UiO-66 MOFs 181
Prediction uncertainty of density functional approximations for properties of crystals with cubic symmetry 179
A comparison between plane wave and Gaussian-type orbital basis sets for hydrogen bonded systems: Formic acid as a test case 173
H-chabazite with variable Si/Al ratio: stability and OH vibrational frequency computed in a periodic LCAO B3-LYP approach 173
Detecting Molecular Rotational Dynamics Complementing the Low-Frequency Terahertz Vibrations in a Zirconium-Based Metal-Organic Framework 173
A periodic ab initio study of the structure and relative stability of silica polymorphs 172
A review of the computational studies of proton- and metal-exchanged chabazites as media for molecular hydrogen storage performed with the CRYSTAL code 171
A computational multiscale strategy to the study of amorphous materials 167
High-pressure thermo-elastic properties of beryl (Al4Be6Si12O36) from ab initio calculations, and observations about the source of thermal expansion 167
Thermal properties of molecular crystals through dispersion-corrected quasi-harmonic ab initio calculations: The case of urea 163
Ab initio QM study of hydroxyapatite (001) and (100) surfaces 162
Double-hybrid density-functional theory applied to molecular crystals 161
An ab initio parametrized interatomic force field for hydroxyapatite 160
Hydroxylated crystalline edingtonite silica faces as models for the amorphous silica surface 158
Ab initio investigation of the interaction of H2 with lithium exchanged low-silica chabazites 157
Ab initio modeling of layered materials with the CRYSTAL code: an overview 156
B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals 155
Cation selectivity in alkali-exchanged chabazite: An ab initio periodic study 155
Theoretical Study of Molecular Hydrogen Adsorption in Mg-Exchanged Chabazite 154
Ab Initio Study of the Adducts of Small Molecules with the Isolated Hydroxyl of Silica and the Bronsted Site in Zeolites: A Comparison between B3-LYP and MP2 Methods 154
Assessment of different quantum mechanical methods for the prediction of structure and cohesive energy of molecular crystals 154
Anisotropic displacement parameters for molecular crystals from periodic Hartree–Fock and density functional theory calculations 151
Fundamental Aspects of H2S Adsorption on CPO-27-Ni 151
Adducts of alkali-metal ions with the C equivalent to C triple bond: an experimental and ab initio study 150
Range-separated double-hybrid density-functional theory applied to periodic systems 150
Quantum-mechanical condensed matter simulations with CRYSTAL 149
Neutral vs Zwitterionic Glycine Forms at the Water/Silica Interface: Structure, Energies and Vibrational Features from B3LYP Periodic Simulations 147
Effect of Benzoic Acid as a Modulator in the Structure of UiO-66: An Experimental and Computational Study 147
Disclosing the complex structure of UiO-66 Metal Organic Framework: a synergic combination of experiment and theory 146
Repulsive and attractive interactions between Bronsted sites and hydrocarbon species with partial carbocationic character in restricted spaces: comparison of IR results and ab initio calculations 146
Periodic ab initio study of structural and vibrational features of hexagonal hydroxyapatite Ca-10(PO4)(6)(OH)(2) 146
Cost-Effective Quantum Mechanical Approach for Predicting Thermodynamic and Mechanical Stability of Pure-Silica Zeolites 146
CRYSTAL23 146
On the Use of Benchmarks for Multiple Properties 145
Probing Dielectric Properties of Metal-Organic Frameworks: MIL-53(Al) as a Model System for Theoretical Predictions and Experimental Measurements via Synchrotron Far- and Mid-Infrared Spectroscopy 144
FFSiOH: a new force field for silica polymorphs and their hydroxylated surfaces based on periodic B3LYP calculations 143
Testing the combination of Hartree-Fock exchange and Wilson-Levy correlation for weakly bonded extended systems 142
Spectroscopic and thermodynamic study of the H-bonding of olefins onto the isolated hydroxyl of amorphous silica 142
Ab initio calculation of nonlinear optical properties for chiral carbon nanotubes. Second harmonic generation and dc-Pockels effect 141
Experimental and Quantum Chemical Studies on the Adsorption of Carbon Dioxide on Alkali-Metal-Exchanged ZSM-5 Zeolites 139
Modeling physisorption with the ONIOM method: the case of NH3 at the isolated hydroxyl group of the silica surface 139
Periodic B3-LYP calculations on H-Edingtonites, both alone and interacting with acetylene 139
Structure-activity relationships of simple molecules adsorbed on MOF materials: in situ experiments vs. theory 139
Structural, electronic, and vibrational properties of solid Sr(OH)(2), calculated with different Hamiltonians 138
IR spectroscopy of crystalline polymers from ab initio calculations: Nylon 6,6 138
Theoretical and Experimental Characterization of Pyrazolato-Based Ni(II) Metal Organic Frameworks 137
Intermolecular Interaction Energies in Molecular Crystals: Comparison and Agreement of Localized Moller-Plesset 2, Dispersion-Corrected Density Functional, and Classical Empirical Two-Body Calculations 135
Role of Calcium Hydroxyapatite in Bioglasses: an Ab-Initio Study 135
Hydrophobic Behavior of Dehydroxylated Silica Surfaces: A B3LYP Periodic Study 135
Entrapping molecules in zeolites nanocavities: A thermodynamic and ab-initio study 134
H3SiOH and F3SiOH as models for isolated hydroxyl groups of amorphous silica. An ab initio study of the adducts with dihydrogen and carbon monoxide 134
The katoite hydrogarnet Si-free Ca3Al2([OH]4)3: A periodic Hartree-Fock and B3-LYP study 134
Understanding and Controlling the Dielectric Response of Metal–Organic Frameworks 134
First principles calculations of the adsorption of NH3 on a periodic model of the silica surface 132
Quantum Mechanical Ab Initio Characterization of a Simple Periodic Model of the Silica Surface. 131
Structure-activity relationships of simple molecules adsorbed on CPO-27-Ni Metal-Organic Framework: in situ experiments vs. theory 130
Vibrational modes of isolated hydroxyls of silica computed ab initio in a cluster approach 129
An ab initio periodic study of acidic chabazite as a candidate for dihydrogen storage 129
Physisorption of aromatic organic contaminants at the surface ofhydrophobic/hydrophilic silica geosorbents: a B3LYP-D modeling study 129
Hydrogarnet defect in chabazite and sodalite zeolites: a periodic Hartree-Fock and B3-LYP 128
Periodic B3LYP study of hydroxyapatite (001) surface modelled by thin layer slabs 128
Density functional study of hydrogen-bonded systems: from gas-phase adducts to catalytically relevant systems 128
Interaction of glycine with isolated hydroxyl groups at the silica surface: first principles B3LYP periodic simulation 127
Stability vs. reactivity: understanding the adsorption properties of Ni3(BTP)2 by experimental and computational methods 126
Cage-like clusters as models for the hydroxyls of silica: ab initio calculation of 1H and 29Si NMR chemical shifts. 124
Role of dispersive interactions in layered materials: a periodic B3LYP and B3LYP-D* study of Mg(OH)(2), Ca(OH)(2) and kaolinite 123
The calculation of the static first and second susceptibilities of crystalline urea: A comparison of Hartree–Fock and density functional theory results obtained with the periodic coupled perturbed Hartree–Fock/Kohn–Sham scheme 123
Ab initio calculation of the crystalline structure and IR spectrum of polymers: Nylon 6 polymorphs 122
Carbon monoxide adsorption on alkali and proton-exchanged chabazite: an ab-initio periodic study using the CRYSTAL code 121
Cagelike Clusters as Models for the Isolated Hydroxyls of Silica: Ab Initio B3-LYP Calculations of the Interaction with Ammonia 121
Structure and energetics of SiO2 polymorphs by quantum-mechanical and semiclassical approaches 121
Comment on "Accurate Hartree-Fock energy of extended systems using large Gaussian basis sets" 121
International Winter School Molecules@Surfaces - Book of Abstracts 121
Interfacing CRYSTAL/AMBER to optimize QM/MM Lennard–Jones parameters for water and to study solvation of TiO2 nanoparticles 121
The unique Raman fingerprint of boron nitride substitution patterns in graphene 120
Ab initio study of van der Waals and hydrogen-bonded molecular crystals with a periodic local-MP2 method 119
Density functional study of hydrogen-bonded systems: energetic and vibrational features of some gas-phase adducts of hydrogen fluoride 119
Structure and stability of aluminium trihydroxidesbayerite and gibbsite: a quantum mechanical ab initiostudy with the CRYSTAL06 code. 113
Exceptionally Low Shear Modulus in a Prototypical Imidazole-Based Metal-Organic Framework 111
Assessment of Density Functional Approximations for Highly Correlated Oxides: The Case of CeO2 and Ce2O3 110
(CD3CN)2H+ adducts in anhydrous H3PW12O40: a FTIR study 108
Topical collection of papers collected on the occasion of the XLI congress of the theoretical chemists of Latin expression (CHITEL 2015 - Torino - Italy) 108
Totale 15.751
Categoria #
all - tutte 47.495
article - articoli 0
book - libri 0
conference - conferenze 2.770
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 50.265


Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2018/2019720 0 0 0 0 0 0 0 0 0 118 430 172
2019/20202.854 117 118 174 329 252 448 324 177 233 209 359 114
2020/20212.314 168 113 136 73 132 129 277 88 198 197 141 662
2021/20225.469 555 451 495 684 483 461 534 478 366 157 374 431
2022/20232.812 306 194 63 281 245 691 312 166 277 38 146 93
2023/20241.170 183 224 77 97 142 247 74 66 9 51 0 0
Totale 20.276