Distribuzione geografica
Continente #
NA - Nord America 4370
EU - Europa 4235
AS - Asia 3382
AF - Africa 377
SA - Sud America 301
OC - Oceania 95
Continente sconosciuto - Info sul continente non disponibili 20
Totale 12780
Nazione #
US - Stati Uniti d'America 4107
IT - Italia 868
CN - Cina 835
IN - India 575
RU - Federazione Russa 533
CZ - Repubblica Ceca 462
DE - Germania 433
JP - Giappone 368
FR - Francia 351
KR - Corea 347
GB - Regno Unito 304
IR - Iran 300
PL - Polonia 236
BR - Brasile 200
TR - Turchia 195
ES - Italia 177
CA - Canada 150
VN - Vietnam 135
ID - Indonesia 115
MX - Messico 106
CH - Svizzera 104
DZ - Algeria 102
UA - Ucraina 100
IE - Irlanda 88
BE - Belgio 87
NL - Olanda 84
AU - Australia 82
TW - Taiwan 80
MY - Malesia 73
RO - Romania 70
TH - Thailandia 68
MA - Marocco 62
PK - Pakistan 57
SE - Svezia 56
HK - Hong Kong 55
TN - Tunisia 54
ZA - Sudafrica 45
EG - Egitto 41
PT - Portogallo 39
SG - Singapore 37
GR - Grecia 34
NG - Nigeria 30
AR - Argentina 29
CL - Cile 28
SA - Arabia Saudita 28
NO - Norvegia 24
CO - Colombia 23
ET - Etiopia 21
FI - Finlandia 21
IL - Israele 20
SK - Slovacchia (Repubblica Slovacca) 18
DK - Danimarca 17
BY - Bielorussia 16
HU - Ungheria 16
PH - Filippine 16
LK - Sri Lanka 15
AT - Austria 14
BG - Bulgaria 14
EU - Europa 14
IQ - Iraq 13
RS - Serbia 13
LT - Lituania 12
NZ - Nuova Zelanda 12
HR - Croazia 11
AE - Emirati Arabi Uniti 9
KZ - Kazakistan 8
LV - Lettonia 8
VE - Venezuela 8
BD - Bangladesh 7
PE - Perù 7
EE - Estonia 6
LU - Lussemburgo 6
A1 - ???statistics.table.value.countryCode.A1??? 5
KE - Kenya 5
SI - Slovenia 5
CD - Congo 4
GH - Ghana 4
QA - Qatar 4
ZW - Zimbabwe 4
CU - Cuba 3
EC - Ecuador 3
KH - Cambogia 3
KW - Kuwait 3
MO - Macao, regione amministrativa speciale della Cina 3
BA - Bosnia-Erzegovina 2
BO - Bolivia 2
BT - Bhutan 2
JO - Giordania 2
MT - Malta 2
OM - Oman 2
TT - Trinidad e Tobago 2
A2 - ???statistics.table.value.countryCode.A2??? 1
AL - Albania 1
AM - Armenia 1
AZ - Azerbaigian 1
CG - Congo 1
CY - Cipro 1
GE - Georgia 1
HN - Honduras 1
LB - Libano 1
Totale 12768
Città #
Houston 368
Fairfield 321
Ann Arbor 262
Santa Cruz 226
Torino 224
Ashburn 207
Beijing 203
Seattle 201
Buffalo 171
Wilmington 165
Woodbridge 154
Cambridge 134
Wuhan 111
Dong Ket 93
University Park 85
Dublin 78
Jakarta 77
Tokyo 77
Taipei 72
Turin 69
Zurich 69
Chicago 65
Milan 57
Seoul 57
Fleming Island 56
Hangzhou 53
Mountain View 50
Guangzhou 49
Chengdu 48
San Diego 48
Nanjing 46
Gent 45
Paris 45
Warsaw 45
Council Bluffs 43
Ottawa 40
Madrid 39
Pisa 39
Istanbul 37
Los Angeles 37
Shanghai 37
Moscow 36
Chennai 31
Las Vegas 31
Toronto 31
Hanoi 30
Barcelona 29
Saint Petersburg 29
Lake Forest 27
London 27
Bangalore 26
Stockholm 26
Dearborn 25
Jinhua 25
Norwalk 24
Bengaluru 23
Islamabad 23
Redmond 23
Xian 23
Delhi 22
Mumbai 22
Scuola 21
Kraków 20
Polska 20
Rome 20
Singapore 20
Boardman 19
Fuzhou 19
Phoenix 19
San Jose 19
São Paulo 19
Tehran 19
Brooklyn 18
Central District 18
Jinan 18
Mexico 18
New York 18
Patiala 18
New Delhi 17
Nürnberg 17
Shenyang 17
Tabriz 17
Ankara 16
Dallas 16
Kolkata 16
Kumar 16
Modena 16
Boulder 15
Changsha 15
Gurgaon 15
Kiev 15
Rochester 15
Santiago 15
Venezia 15
Erlangen 14
Kuala Lumpur 14
Wroclaw 14
Bangkok 13
Clearwater 13
Henderson 13
Totale 5493
Nome #
Effects of metastability on hydrogen sorption in fluorine substituted hydrides, file e27ce427-dabd-2581-e053-d805fe0acbaa 3562
Silica Surface Features and Their Role in the Adsorption of Biomolecules: Computational Modeling and Experiments, file e27ce426-df93-2581-e053-d805fe0acbaa 1729
Large-Scale B3LYP Simulations of Ibuprofen Adsorbed in MCM-41 Mesoporous Silica as Drug Delivery System, file e27ce427-07f1-2581-e053-d805fe0acbaa 286
Computational Study of Acidic and Basic Functionalized Crystalline Silica Surfaces as a Model for Biomaterial Interfaces, file e27ce42a-36dc-2581-e053-d805fe0acbaa 278
DFT Modeling of 45S5 and 77S Soda-Lime Phospho-Silicate Glass Surfaces: Clues on Different Bioactivity Mechanism, file e27ce426-fcb9-2581-e053-d805fe0acbaa 277
Modeling hydroxylated nanosilica: Testing the performance of ReaxFF and FFSiOH force fields, file e27ce42c-9c0d-2581-e053-d805fe0acbaa 276
Hydroxyapatite as a key biomaterial: quantum-mechanical simulation of its surfaces in interaction with bio-molecules, file e27ce426-c8cf-2581-e053-d805fe0acbaa 273
B3LYP Periodic Study of the Physicochemical Properties of the Nonpolar (010) Mg-Pure and Fe-Containing Olivine Surfaces, file e27ce427-0466-2581-e053-d805fe0acbaa 214
Interstellar H adsorption and H2 formation on the crystalline (010) forsterite surface: a B3LYP-D2* periodic study, file e27ce427-0b1a-2581-e053-d805fe0acbaa 212
Properties and Reactivity toward Water of A Type Carbonated Apatite and Hydroxyapatite Surfaces, file e27ce42d-cbde-2581-e053-d805fe0acbaa 208
Decoding Collagen Triple Helix Stability by Means of Hybrid DFT Simulations, file e27ce42f-3ab3-2581-e053-d805fe0acbaa 208
Silica-based materials as drug adsorbents: First principle investigation on the role of water microsolvation on ibuprofen adsorption, file e27ce427-0ece-2581-e053-d805fe0acbaa 199
Cost-Effective Quantum Mechanical Approach for Predicting Thermodynamic and Mechanical Stability of Pure-Silica Zeolites, file e27ce42d-e7b6-2581-e053-d805fe0acbaa 186
A new massively parallel version of CRYSTAL for large systems on High Performance Computing Architectures, file e27ce426-d051-2581-e053-d805fe0acbaa 178
Probing the fate of interstitial water in bulk bioactive glass by ab-initio simulations, file e27ce427-0ecb-2581-e053-d805fe0acbaa 161
When the Surface Matters: Prebiotic Peptide-Bond Formation on the TiO2 (101) Anatase Surface through Periodic DFT-D2 Simulations, file e27ce42d-cba3-2581-e053-d805fe0acbaa 160
The vibrational features of hydroxylapatite and type A carbonated apatite: A first principle contribution, file e27ce429-b274-2581-e053-d805fe0acbaa 153
Does Fe2+ in olivine-based interstellar grains play any role in the formation of H2? Atomistic insights from DFT periodic simulations, file e27ce429-cede-2581-e053-d805fe0acbaa 151
How does collagen adsorb on hydroxyapatite? Insights from Ab initio simulations on a polyproline type II model, file e27ce42e-24ba-2581-e053-d805fe0acbaa 138
Theoretical and experimental study of LiBH4-LiCl solid solution, file e27ce426-eb64-2581-e053-d805fe0acbaa 134
Simulation and Experiment Reveal a Complex Scenario for the Adsorption of an Antifungal Drug in Ordered Mesoporous Silica, file e27ce427-83ff-2581-e053-d805fe0acbaa 133
Elucidating the fundamental forces in protein crystal formation: The case of crambin, file e27ce429-cdbf-2581-e053-d805fe0acbaa 133
Elastic and Vibrational Properties of alpha- and beta-PbO, file e27ce429-b213-2581-e053-d805fe0acbaa 128
Relevance of silicate surface morphology in interstellar H2 formation. Insights from quantum chemical calculations, file e27ce429-ce6a-2581-e053-d805fe0acbaa 124
Does Dispersion Dominate over H-Bonds in Drug–Surface Interactions? The Case of Silica-Based Materials As Excipients and Drug-Delivery Agents, file e27ce426-df96-2581-e053-d805fe0acbaa 118
CO32–Mobility in Carbonate Apatite As Revealed by Density Functional Modeling, file e27ce426-fb80-2581-e053-d805fe0acbaa 115
Monitoring the Reactivity of Formamide on Amorphous SiO2 by In-Situ UV-Raman Spectroscopy and DFT Modeling, file e27ce42f-e875-2581-e053-d805fe0acbaa 115
Synthesis and Structural Investigation of Zr(BH4)(4), file e27ce429-a942-2581-e053-d805fe0acbaa 108
IR spectral fingerprint of carbon monoxide in interstellar water-ice models, file e27ce42d-c7a7-2581-e053-d805fe0acbaa 108
Computing Free Energies of Hydroxylated Silica Nanoclusters: Forcefield versus Density Functional Calculations, file e27ce42c-6716-2581-e053-d805fe0acbaa 105
Electronic Structure of Ti3+–Ethylene Complexes in Microporous Aluminophosphate Materials. A Combined EPR and DFT Study Elucidating the Role of SOMO Orbitals in Metal–Olefin π Complexes, file e27ce429-1db7-2581-e053-d805fe0acbaa 102
Revealing Hydroxyapatite Nanoparticle Surface Structure by CO Adsorption: A Combined B3LYP and Infrared Study, file e27ce426-fb7d-2581-e053-d805fe0acbaa 100
Nearly free surface silanols are the critical molecular moieties that initiate the toxicity of silica particles, file e27ce431-0bf8-2581-e053-d805fe0acbaa 97
Method dependence of proline ring flexibility in the poly-L-proline type II polymer, file e27ce42b-7947-2581-e053-d805fe0acbaa 96
Silicate-mediated interstellar water formation: A theoretical study, file e27ce42d-cde4-2581-e053-d805fe0acbaa 93
Role of mineral surfaces in prebiotic chemical evolution. In silico quantum mechanical studies, file e27ce42d-e7b4-2581-e053-d805fe0acbaa 93
Computational surface modelling of ices and minerals of interstellar interest—insights and perspectives, file e27ce434-73b2-2581-e053-d805fe0acbaa 89
How strong are H-bonds at the fully hydroxylated silica surfaces? Insights from the B3LYP electron density topological analysis, file e27ce42b-d3e0-2581-e053-d805fe0acbaa 84
Formamide adsorption at the amorphous silica surface: A combined experimental and computational approach, file e27ce42d-3e9e-2581-e053-d805fe0acbaa 84
Periodic ab initio bulk investigation of hydroxylapatite and type A carbonated apatite with both pseudopotential and all-electron basis sets for calcium atoms, file e27ce429-ac21-2581-e053-d805fe0acbaa 77
Combined quantum chemical and modeling study of CO hydrogenation on water ice, file e27ce429-b3b9-2581-e053-d805fe0acbaa 76
Seeds of Life in Space (SOLIS). III. Zooming into the Methanol Peak of the Prestellar Core L1544, file e27ce42d-c7a9-2581-e053-d805fe0acbaa 76
ALMA chemical survey of disk-outflow sources in Taurus (ALMA-DOT): IV. Thioformaldehyde (H2CS) in protoplanetary discs: Spatial distributions and binding energies, file e27ce430-f464-2581-e053-d805fe0acbaa 72
Halide substitution in Ca(BH4)2, file e27ce426-fb75-2581-e053-d805fe0acbaa 71
Glycine Adsorption at Nonstoichiometric (010) Hydroxyapatite Surfaces: A B3LYP Study, file e27ce429-b209-2581-e053-d805fe0acbaa 69
Role of dispersive interactions in the CO adsorption on MgO(001): periodic B3LYP calculations augmented with an empirical dispersion term, file e27ce426-c8cd-2581-e053-d805fe0acbaa 68
Cooperative effects at water-crystalline silica interfaces strengthen surface silanol hydrogen bonding. An ab initio molecular dynamics study, file e27ce429-b5ba-2581-e053-d805fe0acbaa 68
Propionic acid derivatives confined in mesoporous silica: monomers or dimers? The case of ibuprofen investigated by static and dynamic ab initio simulations, file e27ce429-c69d-2581-e053-d805fe0acbaa 67
Assessment of different quantum mechanical methods for the prediction of structure and cohesive energy of molecular crystals, file e27ce429-ca1d-2581-e053-d805fe0acbaa 66
Modeling Interstellar Amorphous Solid Water Grains by Tight-Binding Based Methods: Comparison Between GFN-XTB and CCSD(T) Results for Water Clusters, file e27ce434-9433-2581-e053-d805fe0acbaa 63
Interaction of HCO+ Cations With Interstellar Negative Grains. Quantum Chemical Investigation and Astrophysical Implications, file e27ce434-6fcd-2581-e053-d805fe0acbaa 62
Ab-initio modeling of protein/biomaterial interactions: influence of amino acid polar side chains on adsorption at hydroxyapatite surfaces, file e27ce426-d7e2-2581-e053-d805fe0acbaa 60
Binding energies of interstellar molecules on crystalline and amorphous models of water ice by ab initio calculations, file e27ce431-486e-2581-e053-d805fe0acbaa 57
Atomistic model of micelle-templated mesoporous silicas: structural, morphological and adsorption properties, file e27ce429-b5b4-2581-e053-d805fe0acbaa 56
Does Adsorption at Hydroxyapatite Surfaces Induce Peptide Folding? Insights from Large-Scale B3LYP Calculations, file e27ce426-d3b2-2581-e053-d805fe0acbaa 53
Can Formamide Be Formed on Interstellar Ice? An Atomistic Perspective, file e27ce42d-cde6-2581-e053-d805fe0acbaa 52
Seeds of Life in Space (SOLIS): VII. Discovery of a cold dense methanol blob toward the L1521F VeLLO system, file e27ce431-2927-2581-e053-d805fe0acbaa 51
How does Silica Catalyze the Amide Bond Formation in Dry Conditions? Role of Specific Surface Silanol Pairs, file e27ce432-3454-2581-e053-d805fe0acbaa 47
Forsterite Surfaces as Models of Interstellar Core Dust Grains: Computational Study of Carbon Monoxide Adsorption, file e27ce42c-9c12-2581-e053-d805fe0acbaa 46
Structures and properties of known and postulated interstellar cations, file e27ce434-7b72-2581-e053-d805fe0acbaa 39
Models for biomedical interfaces: a computational study of quinone-functionalized amorphous silica surface features, file e27ce42b-844a-2581-e053-d805fe0acbaa 38
Carbon monoxide adsorption at forsterite surfaces as models of interstellar dust grains: An unexpected bathochromic (red) shift of the CO stretching frequency, file e27ce42d-e2da-2581-e053-d805fe0acbaa 38
Coordination chemistry of Ca sites at the surface of nanosized hydroxyapatite: interaction with H2O and CO, file e27ce429-b5bb-2581-e053-d805fe0acbaa 37
Seeds of Life in Space (SOLIS): I. Carbon-chain growth in the Solar-type protocluster OMC2-FIR4, file e27ce42c-6c61-2581-e053-d805fe0acbaa 36
Computing Binding Energies of Interstellar Molecules by Semiempirical Quantum Methods: Comparison Between DFT and GFN2 on Crystalline Ice, file e27ce434-9bf4-2581-e053-d805fe0acbaa 36
Balancing Cost and Accuracy in Quantum Mechanical Simulations on Collagen Protein Models, file e27ce434-a5ef-2581-e053-d805fe0acbaa 35
Amide and Peptide Bond Formation: Interplay between Strained Ring Defects and Silanol Groups at Amorphous Silica Surfaces, file e27ce42a-d3dd-2581-e053-d805fe0acbaa 33
Seeds of Life in Space (SOLIS): VI. Chemical evolution of sulfuretted species along the outflows driven by the low-mass protostellar binary NGC 1333-IRAS4A, file e27ce432-76c0-2581-e053-d805fe0acbaa 32
Ab initio Calculation of Binding Energies of Interstellar Sulphur-Containing Species on Crystalline Water Ice Models, file e27ce434-89d1-2581-e053-d805fe0acbaa 32
Water at hydroxyapatite surfaces: the effect of coverage and surface termination as investigated by all-electron B3LYP-D* simulations, file e27ce429-cb69-2581-e053-d805fe0acbaa 30
Infrared harmonic features of collagen models at B3LYP-D3: From amide bands to the THz region, file e27ce432-6f5c-2581-e053-d805fe0acbaa 30
The Italian National Project of Astrobiology - Life in Space - Origin, Presence, Persistence of Life in Space, from Molecules to Extremophiles, file e27ce434-9630-2581-e053-d805fe0acbaa 30
Seeds of Life in Space (SOLIS): The Organic Composition Diversity at 300-1000 au Scale in Solar-type Star-forming Regions, file e27ce42c-8376-2581-e053-d805fe0acbaa 25
How does Silica Catalyze the Amide Bond Formation in Dry Conditions? Role of Specific Surface Silanol Pairs, file e27ce42d-1870-2581-e053-d805fe0acbaa 25
Monitoring the Reactivity of Formamide on Amorphous SiO2 by In-Situ UV-Raman Spectroscopy and DFT Modeling, file e27ce42f-e876-2581-e053-d805fe0acbaa 22
Revisiting the reactivity between HCO and CH3 on interstellar grain surfaces, file e27ce432-56ef-2581-e053-d805fe0acbaa 20
Elucidating the Nature of Interactions in Collagen Triple-Helix Wrapping, file e27ce42f-503d-2581-e053-d805fe0acbaa 16
First-Principles Modeling of Protein/Surface Interactions. Polyglycine Secondary Structure Adsorption on the TiO2(101) Anatase Surface Adopting a Full Periodic Approach, file e27ce434-6fca-2581-e053-d805fe0acbaa 15
Water Interaction with Fe2NiP Schreibersite (110) Surface: A Quantum Mechanical Atomistic Perspective, file e27ce435-412c-2581-e053-d805fe0acbaa 13
Non-energetic Formation of Ethanol via CCH Reaction with Interstellar H2O Ices. A Computational Chemistry Study, file e27ce435-412e-2581-e053-d805fe0acbaa 12
A quantum mechanical study of dehydration vs. decarbonylation of formamide catalysed by amorphous silica surfaces, file d3e0a15c-15bf-4bf4-821a-00aac6d47f63 11
Theoretical computations on the efficiency of acetaldehyde formation on interstellar icy grains, file e27ce434-94a5-2581-e053-d805fe0acbaa 11
On the Surface Acid-Base Properties of Amorphous and Crystalline Mg2SiO4 as Probed by Adsorbed CO, CO2, and CD3CN, file e27ce42f-8672-2581-e053-d805fe0acbaa 10
Strained ring motif at silica surfaces: A quantum mechanical study of their reactivity towards protic molecules, file e27ce429-d362-2581-e053-d805fe0acbaa 9
What Can Infrared Spectra Tell Us about the Crystallinity of Nanosized Interstellar Silicate Dust Grains?, file e27ce42f-3801-2581-e053-d805fe0acbaa 9
SOLIS: XVI. Mass ejection and time variability in protostellar outflows: Cep E, file 50f03e5a-9c8c-4ec6-80f4-0d87a878d93c 8
A quantum mechanical study of dehydration vs. decarbonylation of formamide catalysed by amorphous silica surfaces, file e27ce42f-c016-2581-e053-d805fe0acbaa 8
Tracing the Primordial Chemical Life of Glycine: A Review from Quantum Chemical Simulations, file e27ce435-7665-2581-e053-d805fe0acbaa 8
Acetaldehyde binding energies: a coupled experimental and theoretical study, file b2f7450d-76f6-4078-8001-3b92a7bdba49 7
Theoretical Distribution of the Ammonia Binding Energy at Interstellar Icy Grains: A New Computational Framework, file d39495a0-c144-4e2a-8028-e171e4507416 7
Quantum Mechanical Simulations of the Radical-Radical Chemistry on Icy Surfaces, file e27ce435-4130-2581-e053-d805fe0acbaa 7
CHAPTER 13: The Birth and Fate of Glycine: The the Interstellar Medium to Primitive Earth, file e27ce434-5c0d-2581-e053-d805fe0acbaa 6
When the Surface Matters: Prebiotic Peptide-Bond Formation on the TiO2 (101) Anatase Surface through Periodic DFT-D2 Simulations, file 0bd6a0d2-4c40-4ee5-b59f-27fb4014d639 5
Computer Generated Realistic Interstellar Icy Grain Models: Physicochemical Properties and Interaction with NH3, file 4ff6e708-2961-4ee0-98c4-0e272c5828b7 5
Seeds of Life in Space (SOLIS): II. Formamide in protostellar shocks: Evidence for gas-phase formation, file e27ce42c-8951-2581-e053-d805fe0acbaa 5
Formamide adsorption at the amorphous silica surface: A combined experimental and computational approach, file e27ce42d-34de-2581-e053-d805fe0acbaa 5
Ab Initio Computational Study on Fe2NiP Schreibersite: Bulk and Surface Characterization, file e27ce434-88f9-2581-e053-d805fe0acbaa 5
Binding Energies of Interstellar Relevant S-bearing Species on Water Ice Mantles: A Quantum Mechanical Investigation, file 26f11d38-fd20-4027-9a61-48aa75cbaf40 4
Totale 13205
Categoria #
all - tutte 17057
article - articoli 0
book - libri 0
conference - conferenze 198
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 17255

Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2017/2018183 0000 00 00 000183
2018/20191799 189134213182 123106 119149 114129202139
2019/20201824 33010993140 128130 132193 184139120126
2020/20212147 166250160147 182146 263178 132162160201
2021/20222648 246138178371 313181 162173 185121370210
2022/20232155 79129365240 178208 298181 193197870
Totale 13293