IRIS
CAUSA', Mauro
 Distribuzione geografica
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Continente #
NA - Nord America 2.278
EU - Europa 1.047
AS - Asia 1.045
AF - Africa 61
SA - Sud America 42
OC - Oceania 3
Totale 4.476
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Nazione #
US - Stati Uniti d'America 2.234
SG - Singapore 486
CN - Cina 294
IT - Italia 261
HK - Hong Kong 228
IE - Irlanda 185
FI - Finlandia 160
RU - Federazione Russa 136
UA - Ucraina 101
DE - Germania 53
SE - Svezia 48
GB - Regno Unito 43
CA - Canada 41
BR - Brasile 35
CI - Costa d'Avorio 32
DZ - Algeria 26
NL - Olanda 19
FR - Francia 18
JP - Giappone 12
IN - India 9
TR - Turchia 6
IS - Islanda 5
BE - Belgio 3
CH - Svizzera 3
ES - Italia 3
IR - Iran 3
MX - Messico 3
PL - Polonia 3
AU - Australia 2
CZ - Repubblica Ceca 2
EC - Ecuador 2
TH - Thailandia 2
TN - Tunisia 2
AR - Argentina 1
AT - Austria 1
CL - Cile 1
CO - Colombia 1
DK - Danimarca 1
HR - Croazia 1
IL - Israele 1
KE - Kenya 1
NZ - Nuova Zelanda 1
PE - Perù 1
PK - Pakistan 1
PT - Portogallo 1
SA - Arabia Saudita 1
TW - Taiwan 1
UZ - Uzbekistan 1
VE - Venezuela 1
Totale 4.476
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Città #
Chandler 429
Singapore 372
Hong Kong 226
Millbury 175
Santa Clara 169
Jacksonville 143
Princeton 136
Nanjing 113
Wilmington 56
Woodbridge 55
Ashburn 51
Napoli 48
Houston 43
Ottawa 38
Boston 35
Beijing 33
Nanchang 29
Helsinki 26
Des Moines 24
Jiaxing 24
Norwalk 23
Shenyang 22
Hebei 20
Falls Church 19
The Dalles 19
Tianjin 17
Changsha 14
Amsterdam 12
Boardman 12
São Paulo 12
Naples 11
Palermo 10
Seattle 10
Falkenstein 8
Lawrence 8
New York 8
Turin 8
Indiana 7
Hangzhou 6
Torino 6
Nocera Superiore 5
Redmond 5
Redwood City 5
Dublin 4
Milan 4
Pune 4
Richland 4
Ventimiglia 4
Ann Arbor 3
Kula 3
Padova 3
Paris 3
Porto Alegre 3
Prineville 3
Akishima 2
Bangkok 2
Broxbourne 2
Caserta 2
Changchun 2
Chicago 2
Edinburgh 2
Fairfield 2
Florence 2
Gelibolu 2
Heidelberg 2
Lyon 2
Messina 2
Mexico City 2
Montréal 2
Moscow 2
Nagoya 2
Orange 2
Ozegna 2
Quattordio 2
Shanghai 2
Springfield 2
Telêmaco Borba 2
Tokyo 2
Walnut 2
Zurich 2
Antakya 1
Antwerpen 1
Anápolis 1
Arezzo 1
Ariccia 1
Arlington 1
Asaka 1
Bari 1
Bentley 1
Berkeley 1
Bogotá 1
Bologna 1
Brisbane 1
Brussels 1
Bursa 1
Cambridge 1
Camocim 1
Campos dos Goytacazes 1
Capurso 1
Capâo Bonito 1
Totale 2.602
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Nome #
CRYSTAL95 User's Manual, 86
X-ray absorption spectroscopy of titanium oxide by time dependent density functional calculations 77
CRYSTAL98 User's Manual, 69
ALPO-34 and SAPO-34 synthesized by using morpholine as templating agent. FTIR and FT-Raman studies of the host-guest and guest-guest interactions within the zeolitic framework 66
Theoretical Analysis of the Reactivity of Carbon Nanotubes: Local Versus Topological Effects 64
The oxidized soot surface: Theoretical study of desorption mechanisms involving oxygenated functionalities and comparison with temperature programed desorption experiments 59
Actual and virtual structures in molecular crystals 57
Modeling soot and its functionalization under atmospheric or combustion conditions by density functional theory within molecular (polycyclic-aromatic-hydrocarbon-like) and periodic methodologies 56
A theoretical study of stability, electronic, and optical properties of GeC and SnC 54
Hierarchy of Intermolecular Interactions and Selective Topochemical Reactivity in Different Polymorphs of Fused-Ring Heteroaromatics 53
Quantum mechanical calculations and spectroscopic analysis of fluorinated vinyl ether molecules 51
ROLE OF SURFACE BRIDGING OXYGEN VACANCIES IN PHOTOLUMINESCENCE OF TIN DIOXIDE NANOBELTS 51
Properties of simple metals beyond the local density approximation of density functional theory 50
Quantum-mechanical Hartree-fock Self-consistent-field Study of the Elastic-constants and Chemical Bonding of Mgf2 (sellaite) 50
Metal defects in HKUST-1 MOF revealed by vibrational spectroscopy: a combined quantum mechanical and experimental study 49
Probing the chemical nature of surface oxides during coal char oxidation by high-resolution XPS 48
Theoretical modeling of open-shell molecules in solution: a QM/MM molecular dynamics approach 47
A quantum mechanical study of TiCl3 alpha, beta and gamma crystal phases: geometry, electronic structure and magnetism 47
The Bond Analysis Techniques (ELF and Maximum Probability Domains) Application to a Family of Models Relevant to Bio-Inorganic ChemistryApplications of Density Functional Theory to Biological and Bioinorganic Chemistry 47
First-principles study of stability, band structure, and optical properties of the ordered Ge0.50Sn0.50 alloy 46
A periodic hybrid DFT approach (including dispersion) to MgCl2-supported Ziegler-Natta catalysts-1: TiCl4 adsorption on MgCl2 crystal surfaces 46
Structural characterization of siliceous spicules from marine sponges 45
Color Tuning and Noteworthy Photoluminescence Quantum Yields in Crystalline Mono/Dinuclear ZnII Complexes 45
Periodic density functional theory study of Pt(111): surface features of slabs of different thicknesses 44
Perylene diimides functionalized with N-thiadiazole substituents: Synthesis and electronic properties in OFET devices 44
Abinitio Hartree-fock Investigation of the Surface-features of Lih Slabs of Different Thickness 44
Crystal14 44
Polar versus centrosymmetric crystal structures in imines of 4-hydroxy-benzohydrazide: a joint experimental and theoretical analysis 43
Competition between Polar and Centrosymmetric Packings in Molecular Crystals: Analysis of Actual and Virtual Structures 43
Strong and Anomalous Thermal Expansion Precedes the Thermosalient Effect in Dynamic Molecular Crystals 43
Ozone interaction with polycyclic aromatic hydrocarbons and soot in atmospheric processes: Theoretical density functional study by molecular and periodic methodologies 42
CRYSTAL and EMBED, two computational tools for the ab initio study of electronic properties of crystals 42
Computational materials science at work: Density functional based study of structural and optical properties of tin oxide surface 42
Computational studies of the reaction of the hydroxyl radical with hydrofluorocarbons (HFCs) and hydrofluoroethers (HFEs 41
Abinitio Hartree-fock Study of the Mgo(001) Surface 41
Atoms and bonds in molecules and chemical explanations 41
Time dependent density functional investigation of the near-edge absorption spectra of V2O5 39
Verneuil corundum: an integrated PBC and white beam synchrotron radiation X-ray topography analysis 39
Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study 39
Particulate matter pollution simulations in complex terrain: A sensitivity analysis 39
Adsorption of CO on TiO2(110) studied by means of a cluster model surrounded by multipoles obtained from slab calculations 38
Abinitio Approach To Molecular-crystals - A Periodic Hartree-fock Study of Crystalline Urea 38
Theoretical mechanicistic studies on oxydation reactions of some saturated and unsaturated organic molecules 37
Annual simulation of secondary pollution over northern Italy 37
Hydrogen, boron and nitrogen atoms in diamond: a quantum mechanical vibrational analysis 37
Direct role of surface oxygen vacancies in visible light emission of tin dioxide nanowires 36
An Ab-initio Hartree-fock Study of Electronic and Structural-properties of Mgh2 36
Aromatic nitration under tropospheric and combustion conditions. A theoretical mechanistic study 35
Ab initio periodic Hartree-Fock calculations for interpretation of the scanning tunneling microscope (STM) images of graphite 35
A Periodic Abinitio Extended Basis Set Study of Alpha-al2o3 35
Periodic DFT study of the Pt(111): A p(1x1) atomic oxygen interaction with the surface 34
Effects of molecular dynamics and solvation on the electronic structure of molecular probes 33
A Theoretical Investigation of the Electronic-structure and Some Thermodynamic Properties of Beta-pbf2 33
Mono- and dinuclear ZnII complexes with high solid state PL quantum yield 33
Translating Microscopic Molecular Motion into Macroscopic Body Motion: Reversible Self-Reshaping in the Solid State Transition of an Organic Crystal 33
Soot inception: A DFT study of σ and π dimerization of resonantly stabilized aromatic radicals 33
On the mechanism of the interaction between oxygen and close-packed single-crystal aluminum surfaces 32
Periodic DFT modeling of bulk and surface properties of MgCl2 32
Maximum Probability Domains in the Solid-State Structures of the Elements: the Diamond Structure 32
Relative Stabilities of Low Index and Stepped CeO2 Surfaces from Hybrid and GGA plus U Implementations of Density Functional Theory 32
Il ruolo dei metodi ab initio nelllo studio dei materiali 31
Electrostatic effects on cluster simulation of ionic crystals and surfaces 31
Abinitio Characterization of the (0001) and (1010) Crystal Faces of Alpha-alumina 31
The Mgo(110) Surface and Co Adsorption Theoreon .1. Clean (110) Surface 31
The high-pressure phase transitions of silicon and gallium nitride: A comparative study of Hartree-Fock and density functional calculations 31
Electron Localization Function and Maximum Probability Domains analysis of semi-ionic oxides crystals, surfaces and surface defects 31
Studio teorico di reazioni alla superficie dei solidi: processi chimici che coinvolgono il particolato atmosferico 30
Ab initio calculation of dynamic polarizability and dielectric constant of carbon and silicon cubic crystals 30
On the Structural-properties of Nacl - An Abinitio Study of the B1-b2 Phase-transition 30
Interpretation of scanning probe microscope image of the structure of atomic vacancy on graphite: ab initio periodic Hartree-Fock calculations 29
Modeling of energetics and structure of interlayer water in na-Montmorillonite 29
Structure and ESR features of a radiation-induced radical in alpha-glycine crystals 29
Density-matrix of Crystalline Systems .2. the Influence of Structural and Computational Parameters 29
Phenomene Periodiques 28
A comparison between the absorption properties of the regular and F-s-defected MgO (100) surface 28
Chemical Computational study of clay minerals and their interaction with pollutants 28
Role of surface oxygen vacancies in photoluminescence of tin dioxide nanobelts 28
Correlation Correction To the Hartree-fock Total Energy of Solids 28
Bottom-up approach to innovative memory devices: I. Intrinsic and environmental effects on the molecular component 27
The VN3H defect in diamond: a quantum-mechanical characterization 27
MISURA E SIMULAZIONE DEI SITI RADICALICI DEL PARTICOLATO CARBONIOSO 26
Photochemical pollution modelling in complex terrain 26
Modellizzazione su scala regionale della dinamica e della chimica del particolato atmosferico 26
Hartree-fock Study of Polysulfur Nitride .2. 3-dimensional Structures and Interchain Interactions 26
A Periodic Abinitio Hartree-fock Calculation On Corundum 26
Hartree-fock Abinitio Characterization of Ionic-crystal Surfaces With A Slab Model - the (0001) Face of Alpha-al2o3 26
The Mgo(110) Surface and Co Adsorption Theoreon .2. Co Adsorption 26
Electronic-structure and Stability of Different Crystal Phases of Magnesium-oxide 26
Quadratic Zeeman Corrections For Metastable Levels of Mg and Ca 26
CRYSTAL14: A Program for the Ab Initio Investigation of Crystalline Solids 26
Periodic DFT and High-Resolution Magic-Angle-Spinning (HR-MAS) 1H NMR Investigation of the Active Surfaces of MgCl2-Supported Ziegler-Natta Catalysts. The MgCl2 Matrix 25
Regular Adsorption of Co Molecules On Lif(001) 25
Density-Gradient analysis for Density functional Theory: Application to atoms 25
Short π‐Stacking in N‐Rich Ionic Aromatic Compounds 25
Surface Investigation and Morphological Analysis of Structurally Disordered MgCl2 and MgCl2/TiCl4 Ziegler-Natta Catalysts 25
Elastic-constants, Phase-transition, and Electronic-structure of Strontium Oxide Sro - An Ab-initio Hartree-fock Study 24
Periodic Pseudopotential Hartree-fock Study of Alpha-quartz Structure Sio2 and Geo2 23
Numerical Integration in Density Functional Methods with Linear Combination of Atomic Orbitals 23
The role of ab initio methods in material sciences 22
The adhesion nature of the Ag/MgO(100) interface: an ab initio study 22
Totale 3.749
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Categoria #
all - tutte 21.723
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 21.723
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020113 0 0 0 0 0 0 0 0 0 9 48 56
2020/2021310 3 33 41 25 32 78 29 4 24 9 27 5
2021/2022707 10 1 3 2 2 24 9 24 198 21 95 318
2022/2023839 151 72 17 92 105 124 1 84 130 15 36 12
2023/2024441 23 93 49 32 16 28 4 41 11 7 96 41
2024/20251.205 208 284 12 6 31 199 330 135 0 0 0 0
Totale 4.575