IRIS
GRASSI, Antonio
 Distribuzione geografica
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Continente #
NA - Nord America 2.392
EU - Europa 1.361
AS - Asia 1.144
AF - Africa 95
OC - Oceania 4
SA - Sud America 1
Totale 4.997
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Nazione #
US - Stati Uniti d'America 2.262
HK - Hong Kong 415
UA - Ucraina 385
IE - Irlanda 360
CN - Cina 350
SG - Singapore 339
IT - Italia 185
DE - Germania 131
CA - Canada 130
RU - Federazione Russa 96
SE - Svezia 88
CI - Costa d'Avorio 56
SN - Senegal 39
FR - Francia 26
FI - Finlandia 20
GB - Regno Unito 19
IN - India 12
VN - Vietnam 12
CH - Svizzera 11
AT - Austria 10
CZ - Repubblica Ceca 7
UZ - Uzbekistan 7
GR - Grecia 6
PL - Polonia 6
AU - Australia 4
NL - Olanda 4
ES - Italia 3
SA - Arabia Saudita 2
TR - Turchia 2
BA - Bosnia-Erzegovina 1
CL - Cile 1
JP - Giappone 1
KW - Kuwait 1
LB - Libano 1
MO - Macao, regione amministrativa speciale della Cina 1
NO - Norvegia 1
RO - Romania 1
SI - Slovenia 1
TW - Taiwan 1
Totale 4.997
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Città #
Jacksonville 464
Chandler 407
Dublin 360
Singapore 264
Chicago 248
Boardman 172
Catania 136
Nanjing 101
Toronto 101
Andover 99
Cambridge 99
Lawrence 99
Ashburn 84
Grafing 77
Abidjan 56
San Mateo 51
Des Moines 48
Nanchang 42
Wilmington 42
Dakar 39
Hebei 34
Saint Petersburg 30
Shenyang 30
Ottawa 29
Bremen 27
Changsha 21
Helsinki 18
Tianjin 17
Liberty Lake 15
Jiaxing 14
Santa Clara 13
Dong Ket 12
Falls Church 11
Jinan 11
Pune 9
Seattle 9
Hangzhou 8
Munich 8
Moscow 7
Norwalk 7
Ann Arbor 6
Ningbo 6
San Francisco 6
Taizhou 6
Los Angeles 5
Washington 5
Bari 4
Florence 4
Kyiv 4
Rome 4
Syracuse 4
Beijing 3
Brno 3
Den Haag 3
Fuzhou 3
Guangzhou 3
Kunming 3
Lanzhou 3
Madrid 3
Melbourne 3
Misterbianco 3
Shanghai 3
Shenzhen 3
Tappahannock 3
At Tuwal 2
Frankfurt Am Main 2
Frankfurt am Main 2
Hanover 2
Kiev 2
Linz 2
Mumbai 2
New York 2
Nuremberg 2
Patti 2
Redmond 2
San Jose 2
Taormina 2
Zhengzhou 2
Ashland 1
Barcellona Pozzo di Gotto 1
Bordeaux 1
Cachan 1
Caserta 1
Central District 1
Changchun 1
Clifton 1
Dunkerque 1
Düsseldorf 1
Eichenau 1
Favara 1
Houston 1
Istanbul 1
Kortenhoef 1
Kuwait City 1
Lausanne 1
Ljubljana 1
London 1
Louisville 1
Ludwigshafen 1
Mammelzen 1
Totale 3.462
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Nome #
X-Ray Crystal Structures, Dipole Moment and Theoretical Molecular Orbital Study of 5-Nitro-2 -(2-pyridinylthio)-pyridine 249
H-1 AND C-13 NMR-SPECTRA OF THE OPIOID ANALGESICS METAZOCINE, PENTAZOCINE AND CYCLAZOCINE 247
1/Z expansion, correlation energy, and shannon entropy of heavy atoms in nonrelativistic limit 78
Bond-order, stretched chemical bonds and electron correlation 68
Equilibrium geometries of low-lying isomers of some Li clusters, within Hartree-Fock theory plus bond order or MP2 correlation corrections 66
CORRELATED INTERNAL MOTIONS AND NUCLEAR-SPIN RELAXATION IN LAMELLAR MESOPHASE 64
Molecular dynamics simulations of polyphosphazenes: Poly[bis(chloro)phosphazene][NPCl2](n) 64
A Fokker–Planck equation for a piecewise entropy functional defined in different space domains. An application to solute partitioning at the membrane–water interface 63
An entropic form for NLFP with coulombic-like potential 62
C-13 NMR SPIN-LATTICE RELAXATION-TIME STUDY OF THE MOLECULAR MOTIONS OF 5-NITRO-2-(2-PYRIDINYLTHIO)PYRIDINE 62
MOLECULAR DETERMINANTS FOR DRUG RECEPTOR INTERACTIONS .7. 500 MHZ H-1 NUCLEAR-MAGNETIC-RESONANCE SPECTRA OF THE NARCOTIC AGONISTS MORPHINE AND OXYMORPHONE AND THE MORPHINE-RELATED ANTAGONIST NALORPHINE BY TWO-DIMENSIONAL H-1-H-1 CHEMICAL-SHIFT CORRELATION SPECTROSCOPY 62
CORRELATION-ENERGY OF DIATOMIC-MOLECULES VERSUS NUMBER OF ELECTRONS 61
Interfacial diffusion controlled reactions with time varying absorbing domains 60
A Relationship Between Atomic Correlation Energy of Neutral Atoms and Generalized Entropy 60
From molecules and clusters of atoms to solid state properties 60
Capture rate and efficiency of an oscillating non-ideal trap interacting with a sea of random diffusing particles. A non-equilibrium Fokker–Planck picture 60
Relation between molecular and atomic correlation energies via overlap population 59
Equilibrium molecular energies used to obtain molecular dissociation energies and heats of formation within the bond-order correlation approach 58
Scaling properties of correlation energies of homonuclear diatoms 58
Molecular modeling of oligopeptide adsorption onto functionalized quartz surfaces 57
To what extent can cyclometalation promote associative or dissociative ligand substitution at platinum(II) complexes? A combined kinetic and theoretical approach 57
Löwdin correlation energy density of the inhomogeneous electron liquid in some closed-shell molecules at equilibrium geometry 56
Fingerprints of antiaromaticity in the negative ion Li3Al4- with anab initio quantum chemical study of the equilibrium structure of the inhomogeneous electron liquid 56
“Dissociation energies in polyatomic molecules and metal clusters” 56
Modeling vacancies and hydrogen impurities in graphene: A molecular point of view 55
DIFFUSION-CONTROLLED REACTIONS AMONG LIGANDS AND RECEPTOR CLUSTERS - EFFECTS OF COMPETITION FOR LIGANDS 55
Bond-order correlation energies for small Si-containing molecules compared with ab initio results from low-order Møller–Plesset perturbation theory 55
Quantum mechanical studies of organometallic materials containing the Se-Te bond 54
C-13 NMR Spin-Lattice Relaxation Times Study of the Molecular Motions of 5-nitro-2-(2-Pyridinylthio)-piridine 54
Stretched chemical bonds in Si6H6: a transition from ring currents to localized pi-electrons? 53
ELECTRON ELECTRON INTERACTION ENERGY IN HOMONUCLEAR DIATOMIC-MOLECULES 53
Molecular Structure and Conformations of 1-Benzenesulphonil-2-oxo-5-alkoxy-pyrrolidines with Anti-Amnesic Activity. X-Ray, 1H-NMR and Quantum Mechanical (PM-3) Studies 52
X-RAY CRYSTAL-STRUCTURE, DIPOLE-MOMENT AND THEORETICAL MOLECULAR-ORBITAL STUDY OF 5-NITRO-2-(2-PYRIDINYLTHIO)-PYRIDINE 52
X-Ray, NMR and Theoretical Studies of the structure and Conformation of the Nootropic Agent Tenilsetam 52
“Hydrodynamic enhancement of the diffusion rate in the region between two fluctuating membranes in close opposition: A theoretical and computational study”, 52
X-RAY MOLECULAR-STRUCTURES AND THEORETICAL CONFORMATIONAL STUDIES OF NARCOTIC ANALGESICS ALPHA-(-)-N-CIS-3-CHLOROALLYL-NORMETAZOCINE, ETHYLKETAZOCINE, AND KETAZOCINE 52
Simple Approaches to Calculate Correlation Energy in Polyatomic Molecular Systems 52
ANGULAR-CORRELATION FUNCTION FOR NMR RELAXATION-TIMES - A GENERAL DESCRIPTION FOR MOLECULES WITH MULTIPLE INTERNAL ROTATIONS 51
Correlation energies in polyatomic molecules modelled in terms of bond order 51
1H and 13C NMR spectra, 13C NMR relaxation times and molecular modelling studies of the narcotic agonist–antagonist α‐( − )‐N‐propynylnormetazocine 50
Derivation of force field parameters, and force field and quantum mechanical studies of layered alpha- and gamma-zirconium phosphates 50
Correlation energies, molucular dissociation energies, and heats of formation within the Bond-Order correlation approach 50
Discretization of unknown functions: A new method to solve partial differential equations with mixed boundary conditions 50
A multiscale study of electronic structure and quantum transport in C6n2H6n-based graphene quantum dots 50
Surface-driven first-step events of nanoscale self-assembly for molecular peptide fibers: An experimental and theoretical study 50
A relationship between atomic correlation energy and tsallis entropy 50
Bond-Order Correlation Energy: a simple approach to obtain molecular dissociation energies and molecular heats of formation 49
Trends in the density of states of hydrogen chemisorbed on the transition metals series 49
SOLID-STATE STRUCTURE AND CONFORMATION OF THE NOOTROPIC AGENT 4-HYDROXY-2-OXO-1-PYRROLIDINEACETAMIDE - X-RAY AND THEORETICAL SELF-CONSISTANT FIELD MOLECULAR-ORBITAL (SCF-MO) STUDIES 48
MOLECULAR DETERMINANTS FOR DRUG-RECEPTOR INTERACTIONS .6. PROTON 500 MHZ NMR-SPECTRA OF THE NARCOTIC-ANTAGONISTS NALOXONE AND NALTREXONE BY TWO-DIMENSIONAL H-1-H-1 CHEMICAL-SHIFT CORRELATION SPECTROSCOPY 48
QUANTUM-MECHANICAL PM3 CALCULATIONS AND HIGH-FIELD H-1 AND C-13 NMR-STUDIES ON CHALCANTHRENES, C12H8XY (X, Y = O, S, SE, TE IN ALL COMBINATIONS) 48
MOLECULAR-STRUCTURES AND CONFORMATIONS OF 1-BENZENESULFONYL-2-OXO-5-ALKOXYPYRROLIDINES WITH ANTIAMNESIC ACTIVITY - X-RAY, H-1-NMR AND QUANTUM-MECHANICAL (PM3) STUDIES 47
C-13 NUCLEAR-MAGNETIC-RESONANCE SPIN-LATTICE RELAXATION STUDY OF DI-2-PYRIDYL DICHALCOGENIDES, PY2S-2, PY2SE-2, PY2TE-2 47
Molecular modeling of interactions between L-lysine and functionalized quartz surfaces 46
Derivation of MM2 force-field parameters for polychlorophosphazenes (NPCl2)n from ab initio data 46
SOLID-STATE STRUCTURE OF 2,2,4,4,6,6-HEXA(BETA-NAPHTHYLOXO)CYCLOPHOSPHAZATRIENE AND DIPOLE-MOMENTS OF HEXA(ARYLOXO)CYCLOPHOSPHAZATRIENES 46
THERMAL-BEHAVIOR OF COMPLEXES BETWEEN DI-2-PYRIDYLDICHALCOGENIDES AND 3D TRANSITION-METALS .1. STUDY ON DICHLORO [BIS(2-PYRIDYL)DISULFIDE]MERCURY-(II) 46
EFFECT OF THE INTERNAL ROTATIONS OF THE REACTANTS IN DIFFUSION-CONTROLLED CHEMICAL-REACTIONS - AN APPLICATION TO THE ENZYME KINETIC PROBLEMS 45
Mesomeric and pi-moments in some hetero-conjugated compounds 45
Conformation of the Nootropic Agents 1-(4-methoxybenzoyl)-5-oxo-2-pyrrolidin-propanoic acid (CI-933) and 4-hydroxymethyl-1-benzyl-pyrrolidin-2-one (WEB-1868). X-Ray Crystal Structures, Theoretical MO Calculations (AM-1) and 600 MHz 1H-NMR Spectra 45
Quantum-chemical modelling of the structural change of water due to its interaction with nanographene 45
X-RAY CRYSTAL-STRUCTURE AND THEORETICAL-STUDIES WITH EXTENDED HUCKEL MO CALCULATIONS OF 2,2,4,4,6,6-HEXAKIS-(DIBENZO[B,D]FURAN-2-YLOXY)-2-LAMBDA-5,4-LAMBDA-5,6- LAMBDA-5-CYCLOTRIPHOSPHAZA-1,3,5-TRIENE AND ITS PARA-CHLOROPHENOXY AND 2-NAPHTHYLOXY ANALOGS 44
MOLECULAR DETERMINANTS FOR DRUG RECEPTOR INTERACTIONS .10. SOLID-STATE STRUCTURE AND SOLUTION CONFORMATION OF THE NOOTROPIC AGENT N-[2-(N,N-DIISOPROPYLAMINO)ETHYL]-2-OXO-1-PYRROLIDINACETAMIDE SULFATE - X-RAY AND HOMONUCLEAR TWO-DIMENSIONAL H-1-NMR STUDIE 44
MOLECULAR DETERMINANTS FOR DRUG-RECEPTOR INTERACTIONS .12. MOLECULAR-ORBITAL STUDIES ON OPIOID ANALGESICS NORMAL-ALLYL-NORMETAZOCINE AND NALORPHINE - CONFORMATIONS AND ELECTROSTATIC MOLECULAR POTENTIALS 43
Stationary solution of NLFP with coulombic potential 43
AN EXPERIMENTAL AND THEORETICAL-STUDY ON 2-FORMYLFURAN AND 2,5-DIFORMYLFURAN 43
Modeling the capture rate by a radially oscillating spherical bubble. A bio-mimetic model for studying the mechanically-mediated uptake by cells, 43
Oscillations of Bubble Shape cause Anomalous Surfactant Diffusion: Experiments, Theory and Simulations. 42
CONFORMATION OF THE NOOTROPIC AGENTS 1-(4-METHOXYBENZOYL)-5-OXO-2-PYRROLIDINEPROPANOIC ACID (CI-933) AND 4-HYDROXYMETHYL-1-BENZYL-PYRROLIDIN-2-ONE (WEB-1868) - X-RAY CRYSTAL-STRUCTURES, THEORETICAL MO CALCULATIONS (AM-1) AND 600 MHZ H-1-NMR SPECTRA 42
SOLID-STATE STRUCTURE AND SOLUTION CONFORMATION OF 2,2,4,4,6,6,-HEXA-(P-CHLOROPHENOXO(CYCLOTRI-LAMBDA-5-PHOSPHAZATRIENE - X-RAY AND DIPOLE-MOMENT STUDIES 40
EXACT ANALYTICAL SOLUTION OF THE ROTATIONAL-TRANSLATIONAL DIFFUSION EQUATION WITH MIXED BOUNDARY-CONDITIONS - AN APPLICATION TO DIFFUSION-CONTROLLED ENZYME-REACTIONS 40
MODELING THE MECHANISMS OF ENZYME REACTIVITY BY THE ROTOTRANSLATIONAL DIFFUSION EQUATION 40
Molecules in clusters: The case of planar LiBeBCNOF built from a triangular form LiOB and a linear four-center species FBeCN 40
Modeling diffusion-controlled permeation through a fractured surface: Possibility of estimating the average distance among the fractures by fluorescence quenching measurements 39
DIPOLE-MOMENTS AND CONFORMATIONS OF DIPHENYL DITELLURIDES 39
Experimental study and modelling of ordered 1:1 mixed component self-assembled aromatic monolayers on gold 39
Molecular Modeling of Interactions between L-Lysine and a Hydroxylated Quartz Surface 39
MOLECULAR DETERMINANTS FOR DRUG RECEPTOR INTERACTIONS - SOLID-STATE STRUCTURE AND CONFORMATION OF THE COGNITION ACTIVATOR 3-PHENOXYPYRIDINE SULFATE C-13 X-RAY, TWO-DIMENSIONAL H-1-NMR AND C-13 NMR, AND THEORETICAL MO-MNDO STUDIES 39
MOLECULAR DETERMINANTS FOR DRUG-RECEPTOR INTERACTIONS .13. X-RAY MOLECULAR-STRUCTURE OF NALTREXONE MALONATE AND QUANTUM CHEMICAL STUDIES OF THE CONFORMATIONS OF THE PURE NARCOTIC-ANTAGONISTS NALOXONE AND NALTREXONE 38
Electronic structure of clusters (LiBC)n: n=1, 2 and 4 38
X-RAY CRYSTAL-STRUCTURE, DIPOLE-MOMENT AND THEORETICAL MOLECULAR-ORBITAL STUDY OF THE COGNITION ACTIVATOR DIHYDRO-1H-PYRROLIZINE-3,5(2H, 6H)-DIONE (ROLZIRACETAM) 38
MOLECULAR DETERMINANTS FOR DRUG RECEPTOR INTERACTIONS .8. ANISOTROPIC AND INTERNAL MOTIONS IN MORPHINE, NALORPHINE, OXYMORPHONE, NALOXONE AND NALTREXONE IN AQUEOUS-SOLUTION BY C-13 NMR SPIN-LATTICE RELAXATION-TIMES 37
Quantum Mechanical PM-3 Calculations and High-Field 1H-, 13C-NMR Studies on Chalcanthrenes C12H8XY (X, Y = O, S, Se, Te all Combination) 37
REORIENTATIONAL DYNAMICS AND INTERNAL MOBILITY OF THE MIXED AGONIST-ANTAGONIST OPIOID NARCOTIC CYCLAZOCINE BY C-13 NMR RELAXATION-TIMES 36
Molecular Dynamics study of self assembled terpyridine–containing monolayers on gold: explaining preferential packing structure 36
MOLECULAR DETERMINANTS FOR DRUG RECEPTOR INTERACTIONS .9. H-1 AND C-13 NMR-SPECTRA OF THE NARCOTIC-ANTAGONIST N-ALLYL-N-NORMETAZOCINE BY TWO-DIMENSIONAL CHEMICAL-SHIFT CORRELATION SPECTROSCOPY 36
First Principle study of impurities in graphene: HF. DFT, and MP2 methods comparison 33
MOLECULAR DETERMINANTS FOR DRUG-RECEPTOR INTERACTIONS .5. ANISOTROPIC AND INTERNAL MOTIONS IN ANALGESIC NARCOTICS (MORPHINE, OXYMORPHONE) AND RELATED ANTAGONISTS (NALORPHINE, NALOXONE) BY C-13 NUCLEAR MAGNETIC-RESONANCE SPIN-LATTICE RELAXATION-TIMES 33
THE COPOLYMER OF 2,6-PYRIDINEDIMETHANETHIOL AND 1,4-BENZENEDIMETHANETHIOL 32
Molecular Dynamics Modeling of the first self-organisation events of oligopeptides on surfaces 32
EFFECT OF INTERCONVERSION BETWEEN REACTANT CONFIGURATIONAL STATES OF ENZYME-KINETICS CONTROLLED BY ROTOTRANSLATIONAL DIFFUSION MOTIONS 31
Molecular Determinants for Drug-Receptor Interactions. 13. X-Ray Crystal Structure of Naltrexone Malonate and Quantum Chemical Studies of the Conformations of the Pure Narcotic Antagonists Naloxone and Naltrexone 31
FACTORS AFFECTING REACTION PATHWAYS IN NUCLEOPHILIC-SUBSTITUTION REACTIONS ON PLATINUM(II) COMPLEXES - A COMPARATIVE KINETIC AND THEORETICAL-STUDY 31
MOLECULAR DETERMINANTS FOR DRUG-RECEPTORS .11. THE PREFERRED CONFORMATION OF N-(P-ANISOYL)PYRROLIDIN-2-ONE (ANIRACETAM) IN THE SOLID AND SOLUTION STATES AS INDICATED BY X-RAY CRYSTAL-STRUCTURE ANALYSIS, DIPOLE-MOMENT AND THEORETICAL CALCULATIONS 30
Molecular Modeling of oligopeptide adsorption onto functionalized quartz surfaces 30
TIME-DEPENDENT ROTOTRANSLATIONAL DIFFUSION EQUATION WITH MULTIPLE MIXED BOUNDARY-CONDITIONS - A FORMALLY EXACT ANALYTICAL SOLUTION 29
Molecular Determinants for Drug-Receptor Interactions. Part 14. X-Ray Molecular Structure and Theoretical Conformational (MNDO, MM2) Studies of the Narcotic Dualist Buprenorphine Hydrochloride 27
NMR Sudy of the Inclusion of the Cognition Activating Drugs Web-1868, RU-35929 and RU-47010 in Cyclodextrins 26
Wrapping and unwrapping an indicaxanthin molecule: A computational approach 25
Anomalous Sorption Kinetics of Self-Interacting Particles by a Spherical Trap 18
Totale 5.089
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Categoria #
all - tutte 16.376
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 16.376
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020332 0 0 49 0 50 0 86 0 52 4 60 31
2020/2021708 1 50 113 1 159 17 90 0 128 0 104 45
2021/2022782 97 99 1 22 145 9 105 26 70 6 19 183
2022/20231.593 115 57 8 124 117 213 3 615 290 8 31 12
2023/2024470 33 60 15 42 30 77 4 15 0 39 87 68
2024/2025637 99 437 101 0 0 0 0 0 0 0 0 0
Totale 5.117