BAGNO, ALESSANDRO
 Distribuzione geografica
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Continente #
NA - Nord America 8.812
EU - Europa 789
AS - Asia 511
OC - Oceania 6
Continente sconosciuto - Info sul continente non disponibili 4
SA - Sud America 3
AF - Africa 2
Totale 10.127
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Nazione #
US - Stati Uniti d'America 8.805
CN - Cina 356
FI - Finlandia 171
UA - Ucraina 143
DE - Germania 129
IT - Italia 105
VN - Vietnam 92
SE - Svezia 83
GB - Regno Unito 80
IN - India 41
FR - Francia 22
IE - Irlanda 22
NL - Olanda 13
CA - Canada 7
PT - Portogallo 7
BE - Belgio 4
EU - Europa 4
KR - Corea 4
AU - Australia 3
NZ - Nuova Zelanda 3
TR - Turchia 3
HK - Hong Kong 2
IR - Iran 2
JP - Giappone 2
MY - Malesia 2
SY - Repubblica araba siriana 2
TN - Tunisia 2
AT - Austria 1
BG - Bulgaria 1
BN - Brunei Darussalam 1
BR - Brasile 1
CH - Svizzera 1
CL - Cile 1
GR - Grecia 1
HR - Croazia 1
ID - Indonesia 1
LK - Sri Lanka 1
ME - Montenegro 1
NO - Norvegia 1
NP - Nepal 1
RO - Romania 1
RS - Serbia 1
RU - Federazione Russa 1
SG - Singapore 1
VE - Venezuela 1
Totale 10.127
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Città #
Fairfield 1.418
Woodbridge 1.315
Jacksonville 766
Houston 698
Ann Arbor 669
Ashburn 654
Wilmington 561
Chandler 558
Seattle 521
Cambridge 503
Princeton 246
San Diego 138
Beijing 108
Dong Ket 92
Nanjing 68
Helsinki 49
Boardman 39
New York 38
Padova 31
Roxbury 31
Des Moines 25
Hebei 25
Jiaxing 24
Shenyang 23
Dublin 22
Nanchang 20
Norwalk 20
Indiana 19
Medford 17
Pune 15
Tianjin 14
Venice 14
Changsha 13
London 12
Prescot 10
Guangzhou 9
Washington 9
Falls Church 8
Munich 8
Kilburn 7
Columbus 6
Hounslow 6
Los Angeles 6
Amsterdam 5
Borås 5
Jodhpur 5
Milan 5
Ogden 5
Ravenna 5
San Francisco 5
Shanghai 5
Acton 4
Brussels 4
Chiswick 4
Rockville 4
Tappahannock 4
Toronto 4
Bathinda 3
Bengaluru 3
Bridge 3
Denver 3
Edinburgh 3
Hanover 3
Kharkiv 3
Mestre 3
Montegrotto Terme 3
New Bedfont 3
Orange 3
Redwood City 3
Rohtak 3
Treviso 3
Yellow Springs 3
Berlin 2
Chicago 2
Dallas 2
Delhi 2
Edmonton 2
Eugene 2
Hyderabad 2
Irvine 2
Kuala Lumpur 2
Kunming 2
Lappeenranta 2
Las Vegas 2
Marseille 2
Mcallen 2
Minneapolis 2
Pisa 2
Redmond 2
Rome 2
Songpa-gu 2
Tokyo 2
Torri di Quartesolo 2
Vigevano 2
Vijayawada 2
Wayne 2
Yenibosna 2
Ankara 1
Bandar Seri Begawan 1
Belgrade 1
Totale 8.997
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Nome #
Modeling NMR parameters by DFT methods as an aid to the conformational analysis of cis-fused 7a(8a)-methyl octa(hexa)hydrocyclopenta[d][1,3]oxazines and [3,1]benzoxazines 150
Predicting C-13 NMR spectra by DFT calculations 144
NMR techniques for the investigation of solvation phenomena and non-covalent interactions 141
NMR properties (chemical shift and relaxation rate) of acceptor and hydrogen bridge nuclei in hydrogen-bonded complexes 133
Nuclear spin relaxation driven by intermolecular dipolar interactions: the role of solute-solvent pair correlations in the modeling of spectral density functions 126
Addressing the Stereochemistry of Complex Organic Molecules by Density Functional Theory-NMR: Vannusal B in Retrospective 119
Photooxidation in water by new hybrid molecular photocatalysts integrating an organic sensitizer with a polyoxometalate core 116
FRIES REARRANGEMENT OF ARYL FORMATES PROMOTED BY BCL3. MECHANISTIC EVIDENCE FROM 11B NMR SPECTRA AND DFT CALCULATIONS 114
Ab initio calculation of NMR properties (shielding and electric field gradient) of S-33 in sulfur compounds 111
Formylation of activated arenes by phenyl formate: implications for the mechanism of the Fries rearrangement of aryl formates 111
EXPERIMENTAL AND THEORETICAL INVESTIGATION OF GAS PHASE COMPLEXES BETWEEN CHLORIDE ION AND SOME CHLOROETHENES 111
Probing the solvation shell of organic molecules by intermolecular 1H NOESY 110
The ab initio neon-water potential-energy surface and its relationship with the hydrophobic hydration shell 109
Preferential Solvation and Self-Association in Alcohol-Acetonitrile Mixtures Observed Through Mass-Spectrometric Analysis of Clusters: Influence of Alkyl Chain Length 108
Computational 19F NMR. 1. General Features 107
THERMODYNAMICS OF PROTONATION OF KETONES AND ESTERS AND ENERGIES OF HYDRATION THEIR CONJUGATE ACIDS 106
NMR quantification of trace components in complex matrices by band-selective excitation with adiabatic pulses 104
Detecting hydrogen bonding by NMR relaxation of the acceptor nuclei 104
Spectroscopic signatures of the carbon buckyonions C60@C180 and C60@C240: a dispersion-corrected DFT study 104
Ab initio calculations on water-peroxovanadium clusters, VO(O-2)(H2O)(n)(+) (n=1-5). Implications for the structure in aqueous solution 103
Relativistic DFT Calculations of Polyoxotungstate 183W NMR Spectra: Insight into their Solution Structure 102
Acid-Base Properties of Organic Solvents 102
Preferential solvation of glucose and talose in water/acetonitrile mixtures: a molecular dynamics simulation study 101
Reactive intermediates in peptide synthesis: First crystal structures and ab initio calculations of 2-alkoxy-5(4H)-oxazolones from urethane-protected amino acids 99
Solvent Effect on Relative N- and O-Acidity. Inversion of the Deprotonation Site of 2- and 4-[(2,4,6-Trinitrophenyl)amino]benzoic Acids 99
DFT Calculation of Intermolecular Nuclear Spin-Spin Coupling in van der Waals Dimers 98
Predicting the spin state of paramagnetic iron complexes by DFT calculation of proton NMR spectra 98
Calculation of NMR parameters in van der Waals complexes involving organic systems and xenon 97
Computing the NMR spectrum of a bulk ionic liquid phase by QM/MM methods 97
The effect of the anion on the physical properties of trihalide-based N,N-dialkylimidazolium ionic liquids 96
A PROGRAM FOR INTERCONVERTING CONCENTRATION UNITS IN BINARY MIXTURES 96
CHEMISTRY IN SUPERACIDS .8. SUPERACID-CATALYZED CARBONYLATION OF METHANE, METHYL HALIDES, METHYL-ALCOHOL, AND DIMETHYL ETHER TO METHYL ACETATE AND ACETIC-ACID 95
A PULSE SEQUENCE FOR T1 MEASUREMENT BY INVERSION RECOVERY IN THE PRESENCE OF ACOUSTIC RINGING 94
Effective core potential DFT calculations of nuclear shielding as a tool for the prediction and assignment of the tungsten chemical shift in mono- and polynuclear complexes 94
Predicting the UV spectrum of polyoxometalates by TD-DFT 94
A Novel Method for the Determination of Ionization Sites in Polyfunctional Acids and Bases by NMR Relaxation Rate Measurements 94
DFT study of the NMR properties of xenon in covalent compounds and van der Waals complexes-implications for the use of Xe-129 as a molecular probe 93
Insights into the cytotoxic activity of the phosphane copper(I) complex [Cu(thp)4][PF6] 93
Metal-Mediated J-Coupling in DNA Base Pairs: Relativistic DFT Predictions 92
Solvation of tetraalkylammonium chlorides in acetonitrile-water mixtures: mass spectrometry and molecular dynamics simulations 92
Can two molecules have the same NMR spectrum? Hexacyclinol revisited 92
THERMODYNAMICS OF PROTONATION AND HYDRATION OF ALIPHATIC AMIDES 91
Electronic and EPR spectra of the species involved in [W10O32]4- photocatalysis. A Relativistic DFT Investigation 89
MD simulation of xenon in ionic liquids: disentangling the cationic and anionic cage effects on the structural and dynamic properties 89
Carbon and nitrogen basicity of aminothiophenes and anilines 89
Computing the NMR spectra of the sponge metabolite arsenicin A: when simple becomes difficult 88
New formylating agents - Preparative procedures and mechanistic investigations 87
Microwave Assisted Rapid Incorporation of Ruthenium into Lacunary Keggin-Type Polyoxotungstates: One-step Synthesis, 99Ru, 183W NMR Characterization and Catalytic Activity of [PW11O39RuII(DMSO)]5- 87
Stability and Solvation of Organic Cations 87
Selective J-resolved spectra: A double pulsed field gradient spin-echo approach 86
Computer simulation of diffusion coefficients of the room-temperature ionic liquid [bmim][BF4]: problems with classical simulation techniques 86
[60]fullerene as a substituent 85
Site of ionization of polyfunctional bases and acids .2. Ab initio electric field gradients at nitrogen, oxygen, phosphorus, and sulfur in neutral and ionized forms 85
Thermoinduced Lipid Oxidation of a Culinary Oil: A Kinetic Study of the Oxidation Products by Magnetic Resonance Spectroscopies 84
STERIC EFFECTS ON THE SOLVATION OF PROTONATED DI-TERT-BUTYL KETONE AND PHENYL TERT-BUTYL KETONE 84
Observation of scalar nuclear spin-spin coupling in van der Waals complexes 84
Long-Range Diastereoselectivity in an Ugi Reaction: Stereocontrolled and Diversity-Oriented Synthesis of Tetrahydrobenzoxazepines 84
Characterization of Paramagnetic Reactive Intermediates: Predicting the NMR Spectra of Iron(IV)-Oxo Complexes by DFT 84
RELATIVE BASICITY OF NITROGEN, OXYGEN, AND SULFUR BASES - THE SITE OF PROTONATION IN SULFENAMIDES AND SULFINAMIDES DETERMINED BY N-14 NMR RELAXATION 83
Steric effects on the proton-transfer equilibria of ketones, sulfoxides, and phenols 83
LEVELLING OF SUBSTITUENT EFFECTS ON ACIDITIES IN THE GAS PHASE COMPARED WITH THOSE IN SOLUTION 83
Solvent effect on the protonation of acetylene and ethylene - Continuum solvent quantum chemical calculations 81
DFT calculations of Ru-99 chemical shifts with all-electron and effective core potential basis sets 81
Investigation of cation-anion interactions in 2-propanol solutions of sodium alkoxides and thiolates by Na-23-NMR spectroscopy 81
Reactivity of auranofin with selenols and thiols - Implications for the anticancer activity of gold(I) compounds 81
Acyl group vs nitrogen protonation of carboxylic and non-carboxylic amides in the gas phase and water 81
Conformational analysis of saturated trans-fused 1,3,2-benzoxazaphosphinine 2-oxides - DFT calculation of NMR J(PH) coupling constants 80
A DFT study of the vicinal 3J(119Sn,13C) and 3J(119Sn,1H) coupling constants in trimethyl- and chlorodimethyl-stannyl propanoates 80
Predicting the 1H and 13C NMR Spectra of Paramagnetic Ru(III) Complexes by DFT 79
Through-space spin-spin coupling in acetylenic systems. Ab initio and DFT calculations 79
Relativistic DFT calculation of Ru-99 NMR parameters: Chemical shifts and spin-spin coupling constants 78
Substituent Effects on the Through-Space nuclear Magnetic Spin-Spin Coupling in van der Waals Dimers 78
Predicting the NMR spectra of nucleotides by DFT calculations: cyclic uridine monophosphate 78
The Site of Ionization of Hydroxamic Acids Probed by Heteronuclear NMR Relaxation Rate and NOE Measurements. An Experimental and Theoretical Study 77
Computational 19F NMR. 2. Organic Compounds 76
Toward the complete prediction of the H-1 and C-13 NMR spectra of complex organic molecules by DFT methods: Application to natural substances 76
Vicinal tungsten-tungsten coupling constants in polyoxotungstates: DFT calculations challenge an empirical rule 76
Quantum chemical modeling of through-hydrogen bond spin-spin coupling in amides and ubiquitin 76
SYNTHETIC METHODS AND REACTIONS .162. COPPER(II) CHLORIDE CATALYZED CARBOXYDEDIAZONIATION OF ARENEDIAZONIUM TETRAFLUOROBORATES WITH CARBON-MONOXIDE IN AQUEOUS DIOXANE SOLUTION TO ARENECARBOXYLIC ACIDS 75
Counterion effects on the 183W NMR spectra of the lacunary Keggin polyoxotungstate [PW11O39]7-. Relativistic DFT calculations 75
Selectivity in proton transfer, hydrogen bonding, and solvation 75
Asymmetric tetraprotonation of gamma-[(SiO4)W10O32](8-) triggers a catalytic epoxidation reaction: Perspectives in the assignment of the active catalyst 74
Computational NMR Spectroscopy of Organoarsenicals and the Natural Polyarsenic Compound Arsenicin A 74
Kinetics of Nucleophilic Aromatic Substitution in Concentrated Solutions of Alkali Metal Methoxides in Methanol 73
Oxygenation by Ruthenium Monosubstituted Polyoxotungstates in Aqueous Solution: Experimental and Computational Dissection of a Ru(III)-Ru(V) Catalytic Cycle 73
THE EXCESS BASICITY OF ALKALI METAL METHOXIDES IN METHANOL 72
H2O2 activation by heteropolyacids with defect structures: the case of gamma-[(XO4)W10O32](n-) (X = Si, Ge, n=8; X = P, n=7) 71
Prediction of the 1H and 13C NMR Spectra of alpha-D-Glucose in Water by DFT Methods and MD Simulations 71
SITE OF PROTONATION OF CARBOXYLIC AND NON-CARBOXYLIC AMIDES IN THE GAS PHASE AND WATER 71
PREFERENTIAL SOLVATION OF ORGANIC SPECIES IN BINARY SOLVENT MIXTURES PROBED BY INTERMOLECULAR 1H NOESY NMR SPECTROSCOPY 69
THERMODYNAMICS OF PROTONATION OF N,N-DIMETHYLTHIOAMIDES IN AQUEOUS SULFURIC-ACID 68
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Computational NMR Spectroscopy: Reversing the Information Flow 66
Understanding Cage Effects in Imidazolium Ionic Liquids by 129Xe NMR: MD Simulations and Relativistic DFT Calculations 66
SOLVATION OF NONELECTROLYTES IN WATER PROBED BY 17O NMR RELAXATION OF THE SOLVENT 65
Probing the C60 triplet state coupling to nuclear spins inside and out 63
Zero-Field Nuclear Magnetic Resonance Spectroscopy of Viscous Liquids 61
Relativistic DFT calculation of Sn-119 chemical shifts and coupling constants in tin compounds 61
Thermo-induced lipid oxidation of a culinary oil: the effect of materials used in common food processing on the evolution of oxidized species. 61
Totale 8.922
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Categoria #
all - tutte 36.984
article - articoli 36.984
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 73.968
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2018/2019732 0 0 0 0 0 0 0 0 0 0 388 344
2019/20202.018 340 59 30 141 216 190 184 247 192 208 100 111
2020/20212.127 50 125 257 188 94 247 45 237 359 142 217 166
2021/20221.524 33 114 258 77 88 109 56 192 130 29 213 225
2022/20231.177 287 119 18 120 170 140 0 129 115 5 56 18
2023/2024510 28 71 57 59 56 149 46 10 20 8 6 0
Totale 10.189