IRIS
COSSI, Maurizio
 Distribuzione geografica
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Continente #
EU - Europa 2.835
NA - Nord America 2.711
AS - Asia 420
Continente sconosciuto - Info sul continente non disponibili 9
SA - Sud America 3
AF - Africa 1
Totale 5.979
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Nazione #
US - Stati Uniti d'America 2.700
IE - Irlanda 939
SE - Svezia 500
DE - Germania 450
UA - Ucraina 363
IT - Italia 252
FI - Finlandia 209
CN - Cina 174
HK - Hong Kong 138
IN - India 53
GB - Regno Unito 44
IR - Iran 28
FR - Francia 18
VN - Vietnam 16
BE - Belgio 14
CA - Canada 11
RU - Federazione Russa 11
EU - Europa 8
NL - Olanda 8
TR - Turchia 8
CZ - Repubblica Ceca 7
AT - Austria 5
RO - Romania 5
GR - Grecia 4
ES - Italia 3
A2 - ???statistics.table.value.countryCode.A2??? 1
BD - Bangladesh 1
BG - Bulgaria 1
BR - Brasile 1
CL - Cile 1
CO - Colombia 1
IL - Israele 1
JP - Giappone 1
MA - Marocco 1
PL - Polonia 1
PT - Portogallo 1
Totale 5.979
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Città #
Dublin 912
Jacksonville 662
Chandler 302
Dearborn 254
Wilmington 202
Hong Kong 138
Lawrence 117
Princeton 117
Piemonte 109
Ann Arbor 102
San Mateo 87
Beijing 85
Andover 72
Ashburn 57
Boardman 38
Woodbridge 37
Bremen 36
Houston 30
Menlo Park 27
Philadelphia 27
Dong Ket 16
Helsinki 16
Novara 15
Brussels 14
Norwalk 13
Nanjing 12
Kunming 11
Leawood 11
Hefei 10
Toronto 10
Modena 9
Ardabil 8
Fairfield 8
Guangzhou 8
Jinan 8
Kocaeli 8
Strasbourg 8
Zanjan 8
Brno 7
Monmouth Junction 7
Turin 7
Calolziocorte 6
Milan 6
Biella 5
Dallas 5
Cannobio 4
Munich 4
Mülheim 4
Nocera Inferiore 4
Seattle 4
Shenyang 4
Taggia 4
Vercelli 4
Biassono 3
Cambridge 3
Changsha 3
Fuzhou 3
Mcallen 3
Nettuno 3
Southampton 3
Torino 3
Wuhan 3
Aosta 2
Baotou 2
Birmingham 2
Chongqing 2
Clearwater 2
Duncan 2
Foppolo 2
Frankfurt am Main 2
Genova 2
Henderson 2
Los Angeles 2
Nanchang 2
Naples 2
Portland 2
Redmond 2
San Diego 2
Shanghai 2
Shaoxing 2
Taizhou 2
Timisoara 2
Xian 2
Amsterdam 1
Arco 1
Belgioioso 1
Bellinzago Novarese 1
Bibbona 1
Bogotá 1
Buffalo 1
Cassano Magnago 1
Chelyabinsk 1
Chengdu 1
Des Moines 1
Grafenhausen 1
Groningen 1
Gunzenhausen 1
Hangzhou 1
Hebei 1
Huzhou 1
Totale 3.765
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Nome #
Combined solid-state NMR, FT-IR and computational studies on layered and porous materials 101
A gas-adsorbing porous organic polymer and method of preparing thereof 98
A method of preparing a microporous carbon and the microporous carbon thereby obtained 97
Accurate Evaluation of the Dispersion Energy in the Simulation of Gas Adsorption into Porous Zeolites 93
A gas-adsorbing porous aromatic hyper-cross-linked polymer and a method of preparing thereof 90
Sulfonamide antibiotics embedded in high silica zeolite Y: a combined experimental and theoretical study of host-guest and guest-guest interactions 86
Optimizing the relaxivity at high fields: systematic variation of the rotational dynamics in polynuclear Gd-complexes based on the AAZTA ligand 84
Structural changes induced by dehydration in the crystalline layered silicate Na-RUB-18: a computational/experimental combined study 82
Ab initio design of low band gap 2D tin organohalide perovskites 80
Possible 2,1 -> 3,1 isomerization mechanism in zirconocene-catalyzed propene polymerization: An application of the density functional theory and combined ONIOM approach 72
New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution 69
On the gas storage properties of 3D porous carbons derived from hyper-crosslinked polymers 69
Influence of silicodactyly in the preparation of hybrid materials 69
Ab initio modeling of 2D layered organohalide lead perovskites 67
An atomistic model of a disordered nanoporous solid: Interplay between Monte Carlo simulations and gas adsorption experiments 67
Monte Carlo modeling of carbon dioxide adsorption in porous aromatic frameworks 66
Geometry optimization of molecular structures in solution by the polarizable continuum model 65
Ab initio study of solvated molecules: A new implementation of the polarizable continuum model 64
Solvent effect on vertical electronic transitions by the polarizable continuum model 63
First principles study of 2D layered organohalide tin perovskites 63
Polarizable dielectric model of solvation with inclusion of charge penetration effects 62
A plane wave implementation of the polarizable continuum model 61
Understanding methane adsorption in porous aromatic frameworks: An FTIR, Raman, and theoretical combined study 61
Interactions of Toluene and n-Hexane on High Silica Zeolites: An Experimental and Computational Model Study 61
Prediction of the pK(a) of carboxylic acids using the ab initio continuum-solvation model PCM-UAHF 60
Ab initio study of ionic solutions by a polarizable continuum dielectric model 60
A Chemical Strategy for the Relaxivity Enhancement of GdIII Chelates Anchored on Mesoporous Silica Nanoparticles 60
A SIMPLE SOLVENT MODEL FOR ELECTRON-TRANSFER REACTIONS 59
Analytical Hartree-Fock calculation of the dynamical polarizabilities alpha, beta, and gamma of molecules in solution 59
Catalytic and bulk solvent effects on proton transfer: Formamide as a case study 59
CHARGE-TRANSFER AND CURVE CROSSINGS IN THE [BEH2O]2+ SYSTEM 58
The Role of Silanols in the Interactions between Methyl tert-Butyl Ether and High-Silica Faujasite Y: An Infrared Spectroscopy and Computational Model Study 58
SOLUTE-SOLVENT ELECTROSTATIC INTERACTIONS WITH NONHOMOGENEOUS RADIAL DIELECTRIC FUNCTIONS 57
Analytical derivatives for molecular solutes .3. Hartree-Fock static polarizability and hyperpolarizabilities in the polarizable continuum model 57
A combination of a hybrid QM/MM method for large molecules with the continuum solvation method. 57
A porous carbon with excellent gas storage properties from waste polystyrene 57
Addition of Hydrocarbons to H-Si(100) in Extra-Mild Conditions: A Novel Mechanism Valid for Single and Multiple C-C Bonds 56
The interactions of methyl tert-butyl ether on high silica zeolites: a combined experimental and computational study 56
Density Functional Theory Modeling of PbSe Nanoclusters: Effect of Surface Passivation on Shape and Composition 56
Toward an effective and reliable representation of solvent effects in the study of biochemical systems 55
Embedding monomers and dimers of sulfonamide antibiotics into high silica zeolite Y: an experimental and computational study of the tautomeric forms involved 55
Theoretical Prediction of High Pressure Methane Adsorption in Porous Aromatic Frameworks (PAFs) 54
Microporous Hyper-Cross-Linked Aromatic Polymers Designed for Methane and Carbon Dioxide Adsorption 54
Mesoporous silica nanoparticles incorporating squaraine-based photosensitizers: A combined experimental and computational approach 53
Thermal Degradation in Ultrathin Films Outperforms Dose Control of n-Type Polymeric Dopants for Silicon 53
Correction of cavity-induced errors in polarization charges of continuum solvation models 52
Ab initio study of electron affinity variation induced by organic molecule adsorption on the silicon (001) surface 52
Optimizing the relaxivity of MRI probes at high magnetic field strengths with binuclear GdIIIComplexes 52
Predicting the Conformation of Organic Catalysts Grafted on Silica Surfaces with Different Numbers of Tethering Chains: The Silicopodality Concept 52
A Combined Theoretical and Experimental Study of the Interface Between Alkylammonium Ions and Layered Aluminophosphates Materials 51
Cadinane sesquiterpenes from the mushroom Lyophyllum transforme 51
Time-dependent density functional theory for molecules in liquid solutions 50
Ab initio theoretical study of substituted dicarboxylic acids adsorbed on GaAs surfaces: Correlation between microscopic properties and observed electrical behavior 50
Experimental Determination of the Molar Absorption Coefficient of n-hexane Adsorbed on High Silica Zeolites 50
Analytical first derivatives of molecular surfaces with respect to nuclear coordinates 49
Computational Study of the Mechanism of the Photochemical and Thermal Ring-Opening/Closure Reactions and Solvent Dependence in Spirooxazines 49
Porous dipeptide crystals as selective CO2 adsorbents: experimental isotherms vs. grand canonical Monte Carlo simulations and MAS NMR spectroscopy 49
An ab initio SCRF continuum study of the Lewis acid complexation of esters 48
Solvent effects on an S(N)2 reaction profile 48
Assessment of a combined QM/MM approach for the study of large nitroxide systems in vacuo and in condensed phases 48
Analytical second derivatives of the free energy in solution by polarizable continuum models 48
Investigating the Interaction of Water Vapour with Aminopropyl Groups on the Surface of Mesoporous Silica Nanoparticles 48
First Principle Study of Capping Energies and Electronic States in Stoichiometric and Nonstoichiometric PbSe Nanoclusters 48
Hyper-Cross-Linked Polymers for the Capture of Aromatic Volatile Compounds 48
Energy and energy derivatives for molecular solutes: Perspectives of application to hybrid quantum and molecular methods 47
Structure and magnetic properties of glycine radical in aqueous solution at different pH values 47
Rose Bengal incorporated in mesostructured silica nanoparticles: structural characterization, theoretical modeling and singlet oxygen delivery 47
null 47
An accurate density functional method for the study of magnetic properties: the PBE0 model 46
DFT simulation of Mg/Al hydrotalcite with different intercalated anions: Periodic structure and solvating effects on the iodide/triiodide redox couple 46
Development and validation of reliable quantum mechanical approaches for the study of free radicals in solution 45
Improving performance of polarizable continuum model for study of large molecules in solution 45
An ab initio time-dependent Hartree-Fock study of solvent effects on the polarizability and second hyperpolarizability of polyacetylene chains within the polarizable continuum model 45
A new definition of cavities for the computation of solvation free energies by the polarizable continuum model 44
Ab initio modeling of 2D and quasi-2D lead organohalide perovskites with divalent organic cations and a tunable band gap 44
New computational strategies for the quantum mechanical study of biological systems in condensed phases 43
Separation between fast and slow polarizations in continuum solvation models 43
A direct procedure for the evaluation of solvent effects in MC-SCF calculations 42
A combined theoretical and experimental approach to determining order parameters of solutes in liquid crystals from C-13 NMR data 42
Solvent and vibrational effects on molecular electric properties. Static and dynamic polarizability and hyperpolarizabilities of urea in water 41
Accurate and effective calculation of amide proton magnetic shieldings in a calcium binding peptide 41
ASPECTS OF ELECTROPHILIC BROMINATION OF ALKENES IN SOLUTION - THEORETICAL CALCULATION OF ATOMIC CHARGES IN BROMONIUM IONS 41
A first-principle study of the adsorption of 1-amino-3-cyclopentene on the (100) silicon surface 40
Towards linear scaling in continuum solvent models. A new iterative procedure for energies and geometry optimizations 40
ANALYTICAL EXPRESSIONS OF THE FREE-ENERGY DERIVATIVES FOR MOLECULES IN SOLUTION - APPLICATION TO THE GEOMETRY OPTIMIZATION 39
Optimization of the Friedel-Crafts Alkylation for the Synthesis of Hyper-Cross-Linked Polymers 38
THEORETICAL-MODEL OF SOLVATION IN CONTINUUM ANISOTROPIC DIELECTRICS 37
Finite elements molecular surfaces in continuum solvent models for large chemical systems 37
A polarizable continuum approach for the study of heterogeneous dielectric environments 37
A theoretical study of ethylene, cyclopentene and 1-amino-3-cyclopentene adsorption on the silicon (100) surface 37
Theoretical modeling of the benzoic acid adsorption on the GaAs (001)-beta(2)(2x4) oxidized surface 37
Removal of sulfamethoxazole sulfonamide antibiotic from water by high silica zeolites: A study of the involved host-guest interactions by a combined structural, spectroscopic, and computational approach. 37
Recent advances in the description of solvent effects with the polarizable continuum model 36
Accurate static polarizabilities by density functional theory: assessment of the PBE0 model 36
Theoretical study of the addition of hydrogen cyanide to methanimine in the gas phase and in aqueous solution 36
Continuum solvation model for infinite periodic systems 36
Cavitation and electrostatic free energy for molecular solutes in liquid crystals 36
Accurate prediction of electron-paramagnetic-resonance tensors for spin probes dissolved in liquid crystals 36
Quantum calculation of molecular energies and energy gradients in solution by a conductor solvent model 36
Solvent effects on O-17 nuclear magnetic shielding: N-methylformamide in polar and apolar solutions 35
Totale 5.388
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Categoria #
all - tutte 28.552
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 28.552
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2018/20199 0 0 0 0 0 0 0 0 0 0 6 3
2019/20201.141 7 7 115 11 189 167 226 55 135 100 125 4
2020/2021859 118 2 114 7 100 44 127 3 116 44 139 45
2021/2022932 31 26 169 175 41 3 71 22 56 37 140 161
2022/20231.998 153 74 110 75 163 193 37 90 964 6 88 45
2023/2024424 52 49 49 8 108 0 140 13 2 1 2 0
Totale 6.067