SAIELLI, GIACOMO
 Distribuzione geografica
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Continente #
NA - Nord America 7.092
AS - Asia 657
EU - Europa 564
OC - Oceania 7
SA - Sud America 3
Continente sconosciuto - Info sul continente non disponibili 2
Totale 8.325
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Nazione #
US - Stati Uniti d'America 7.085
CN - Cina 232
SG - Singapore 226
FI - Finlandia 128
VN - Vietnam 122
DE - Germania 82
UA - Ucraina 81
FR - Francia 76
IN - India 65
GB - Regno Unito 61
SE - Svezia 54
IT - Italia 48
IE - Irlanda 11
CA - Canada 7
PT - Portogallo 7
NL - Olanda 5
NZ - Nuova Zelanda 4
AU - Australia 3
CZ - Repubblica Ceca 3
BR - Brasile 2
EU - Europa 2
IR - Iran 2
KR - Corea 2
MY - Malesia 2
TR - Turchia 2
AT - Austria 1
BE - Belgio 1
BG - Bulgaria 1
CH - Svizzera 1
GR - Grecia 1
ID - Indonesia 1
JP - Giappone 1
LK - Sri Lanka 1
LT - Lituania 1
NP - Nepal 1
RS - Serbia 1
RU - Federazione Russa 1
VE - Venezuela 1
Totale 8.325
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Città #
Fairfield 1.206
Woodbridge 879
Ann Arbor 595
Houston 563
Ashburn 527
Seattle 468
Cambridge 445
Wilmington 441
Chandler 408
Jacksonville 399
Princeton 178
Singapore 167
Boardman 139
Santa Clara 138
Dong Ket 122
San Diego 117
Beijing 63
Medford 60
Helsinki 58
Pune 52
Des Moines 46
Nanjing 41
Roxbury 33
Padova 19
Nanchang 18
Hebei 15
Shenyang 15
Jiaxing 14
London 14
New York 13
Dublin 11
Indiana 8
Norwalk 8
Columbus 7
Kharkiv 7
Kilburn 7
Dallas 5
Jodhpur 5
Ogden 4
Prescot 4
Tappahannock 4
Tianjin 4
Acton 3
Bathinda 3
Brendola 3
Bridge 3
Changsha 3
Denver 3
Falls Church 3
Los Angeles 3
Olomouc 3
Rohtak 3
San Francisco 3
Amsterdam 2
Auckland 2
Borås 2
Canberra 2
Chiswick 2
Edinburgh 2
Haikou 2
Hanover 2
Hounslow 2
Kuala Lumpur 2
Milan 2
Stockholm 2
São Paulo 2
Tehran 2
Torino 2
Vicenza 2
Ankara 1
Belgrade 1
Brisbane 1
Brussels 1
Chengdu 1
Chieti 1
Colombo 1
Costabissara 1
Council Bluffs 1
Fremont 1
Gassino Torinese 1
Guangzhou 1
Hengyang 1
Jakarta 1
Jawalakhel 1
Jinan 1
Kirchdorf 1
Kunming 1
Las Vegas 1
Leawood 1
Leeds 1
Lisbon 1
Miami 1
Miami Beach 1
Munich 1
Nanyang 1
Negrar 1
Nervesa della Battaglia 1
New Bedfont 1
Ottawa 1
Paraparaumu 1
Totale 7.423
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Nome #
Bulky melamine-based Zn-porphyrin tweezer as a CD probe of molecular chirality 171
103Rh NMR Chemical Shifts in Organometallic Complexes: A Combined Experimental and Density Functional Study 159
Simulated time resolved fluorescence in ordered phases 156
Mimicking enzymes: Cooperation between organic functional groups and metal ions in the cleavage of phosphate diesters 155
Predicting C-13 NMR spectra by DFT calculations 154
NMR techniques for the investigation of solvation phenomena and non-covalent interactions 145
A stochastic cage model for the orientational dynamics of single molecules in nematic phases 136
Melamine-Bridged Bis(Porphyrin-Zn-II) Receptors: Molecular Recognition Properties 135
Time-resolved fluorescence of intramolecular charge-transfer systems: Experimental results and theoretical predictions 134
A diffusive model for interpreting solvation dynamics in isotropic and ordered liquid phases 133
Approximate description of Stokes shifts in ICT fluorescence emission 131
Cage effects in the orientational dynamics of a Gay-Berne mesogen 130
Time resolved fluorescence of N,N-dimethylaminobenzonitrile in glycerol triacetate: experimental results and model interpretation 129
Insights on Nuclease Mechanism: The Role of Proximal Ammonium Group on Phosphate Esters Cleavage 126
Addressing the Stereochemistry of Complex Organic Molecules by Density Functional Theory-NMR: Vannusal B in Retrospective 123
Solvation dynamics of Coumarin 503 in the liquid-crystal mixture ZLI 1167 119
FRIES REARRANGEMENT OF ARYL FORMATES PROMOTED BY BCL3. MECHANISTIC EVIDENCE FROM 11B NMR SPECTRA AND DFT CALCULATIONS 118
Ionic liquid crystals based on viologen dimers: tuning the mesomorphism by varying the conformational freedom of the ionic layer 117
Formylation of activated arenes by phenyl formate: implications for the mechanism of the Fries rearrangement of aryl formates 116
Aggregation Behavior of Octyl Viologen Di[bis(trifluoromethanesulfonyl)amide] in Nonpolar Solvents 115
Preferential Solvation and Self-Association in Alcohol-Acetonitrile Mixtures Observed Through Mass-Spectrometric Analysis of Clusters: Influence of Alkyl Chain Length 112
Computational 19F NMR. 1. General Features 110
Spectroscopic signatures of the carbon buckyonions C60@C180 and C60@C240: a dispersion-corrected DFT study 109
Computing the NMR spectrum of a bulk ionic liquid phase by QM/MM methods 106
Preferential solvation of glucose and talose in water/acetonitrile mixtures: a molecular dynamics simulation study 104
Theoretical model of photoinduced intramolecular charge transfer processes 103
Calculation of NMR parameters in van der Waals complexes involving organic systems and xenon 103
Turning optical chemosensors into optodes: a quantum chemical and experimental case-study 103
DFT Calculation of Intermolecular Nuclear Spin-Spin Coupling in van der Waals Dimers 102
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 100
Metal-Mediated J-Coupling in DNA Base Pairs: Relativistic DFT Predictions 99
Ion pairing in 1-butyl-3-methylpyridinium halides ionic liquids studied by NMR and DFT calculations 98
The 125Te Chemical Shift of Diphenyl Ditelluride: Chasing Conformers over a Flat Energy Surface 98
Solvation of tetraalkylammonium chlorides in acetonitrile-water mixtures: mass spectrometry and molecular dynamics simulations 97
Can two molecules have the same NMR spectrum? Hexacyclinol revisited 95
MD simulation of xenon in ionic liquids: disentangling the cationic and anionic cage effects on the structural and dynamic properties 93
Distribution and Dynamic Properties of Xenon Dissolved in the Ionic Smectic Phase of [C16mim][NO3]: MD Simulation and Theoretical Model 92
An experimental and theoretical study of the mechanism of cleavage of an RNA-model phosphate diester by mononuclear Zn(II) complexes 91
Mesomorphic and electrooptical properties of viologens based on non-symmetric alkyl/polyfluoroalkyl functionalization and on an oxadiazolyl-extended bent core 91
Computer simulation of diffusion coefficients of the room-temperature ionic liquid [bmim][BF4]: problems with classical simulation techniques 90
Observation of scalar nuclear spin-spin coupling in van der Waals complexes 88
Reactivity of auranofin with selenols and thiols - Implications for the anticancer activity of gold(I) compounds 88
A DFT study of the vicinal 3J(119Sn,13C) and 3J(119Sn,1H) coupling constants in trimethyl- and chlorodimethyl-stannyl propanoates 87
Through-space spin-spin coupling in acetylenic systems. Ab initio and DFT calculations 87
Effect of a structural modification of the bipyridinium core on the phase behaviour of viologen-based bistriflimide salts 86
Predicting the NMR spectra of nucleotides by DFT calculations: cyclic uridine monophosphate 86
Thermal behaviour and electrochemical properties of bis(trifluoromethanesulfonyl)amide and dodecatungstosilicate viologen dimers 85
Substituent Effects on the Through-Space nuclear Magnetic Spin-Spin Coupling in van der Waals Dimers 83
Effect of asymmetric substitution on the mesomorphic behaviour of low-melting viologen salts of bis(trifluoromethanesulfonyl)amide 82
Toward the complete prediction of the H-1 and C-13 NMR spectra of complex organic molecules by DFT methods: Application to natural substances 80
Computational 19F NMR. 2. Organic Compounds 79
Extended Smoluchowski models for interpreting relaxation phenomena in liquids 77
Computational NMR Spectroscopy of Organoarsenicals and the Natural Polyarsenic Compound Arsenicin A 77
Viologen-based ionic liquid crystals: induction of a smectic A phase by dimerisation 75
Prediction of the 1H and 13C NMR Spectra of alpha-D-Glucose in Water by DFT Methods and MD Simulations 74
Understanding Cage Effects in Imidazolium Ionic Liquids by 129Xe NMR: MD Simulations and Relativistic DFT Calculations 70
Computational NMR Spectroscopy: Reversing the Information Flow 69
Relativistic DFT calculation of Sn-119 chemical shifts and coupling constants in tin compounds 69
A pairwise additive potential for the elastic interaction energy of a chiral nematic 68
Zero-Field Nuclear Magnetic Resonance Spectroscopy of Viscous Liquids 67
Computing the 1H NMR Spectrum of the Bulk Ionic Liquid 1-Ethyl-3-methylimidazolium Chloride from Snapshots of Car-Parrinello Molecular Dynamics Simulations 63
Oxadiazolyl-pyridines and perfluoroalkyl-carboxylic acids as building blocks for protic ionic liquids: crossing the thin line between ionic and hydrogen bonded materials 62
A DFT study of the Karplus-type dependence of vicinal 3J(Sn-C-X- C), X=N,O,S, in organotin(iv) compounds: Application to conformationally flexible systems 61
Addressing the stereochemistry of complex organic molecules by density functional theory-NMR 61
One-bond 1J(15N─19F) spin–spin coupling constants of cationic fluorinating reagents: Insights from DFT calculations 60
Structure of D-ribonic acid-dimethyltin(IV) in coordinating solvents: an experimental and DFT 119Sn NMR study 58
Through-space spin-spin coupling in van der waals dimers and CH/pi interacting systems. An ab initio and DFT study 58
A combined LX-NMR and molecular dynamics investigation of the bulk and local structure of ionic liquid crystals 57
“Through-Space” Relativistic Effects on NMR Chemical Shifts of Pyridinium Halide Ionic Liquids 55
Relativistic DFT calculations of the NMR properties and reactivity of transition metal methane sigma-complexes: insights on C–H bond activation 55
DFT calculation of 1J(119Sn,13C) and 2J(119Sn,1H) coupling constants in di- and trimethyltin(IV) compounds 53
Liquid-Liquid Phase Separation of Viologen Bistriflimide/Benzene Mixtures: Role of the Dual Ionic and Organic Nature of Ionic Liquids 53
MD simulations of mixtures of charged Gay-Berne and Lennard-Jones particles as models of ionic liquid crystals 52
Uncovering Intramolecular π-Type Hydrogen Bonds in Solution by NMR Spectroscopy and DFT Calculations 51
Computational Spectroscopy of Ionic Liquids for Bulk Structure Elucidation 50
Effect of Ion Rigidity on Physical Properties of Ionic Liquids Studied by Molecular Dynamics Simulation 50
Tuning Coulombic interactions to stabilize nematic and smectic ionic liquid crystal phases in mixtures of charged soft ellipsoids and spheres 47
Comparison of the mesomorphic behaviour of 1:1 and 1:2 mixtures of charged gay-berne GB(4.4,20.0,1,1) and lennard-jones particles 46
Aggregation behavior of dihexadecylviologen bistriflimide ionic liquid crystal in different solvents: influence of polarity and concentration 45
Role of the Electrostatic Interactions in the Stabilization of Ionic Liquid Crystals: Insights from Coarse-Grained MD Simulations of an Imidazolium Model 43
Influence of the ion size on the stability of the smectic phase of ionic liquid crystals 43
Ionic Liquid Crystals 42
Capillary electrophoresis, ROESY NMR and molecular modelling study of the inclusion complex beta-cyclodextrin/lipoic acid 41
31P and 195Pt solid-state NMR and DFT studies on platinum(i) and platinum(II) complexes 41
A coarse-grained model of ionic liquid crystals: The effect of stoichiometry on the stability of the ionic nematic phase 40
Ionic self assembly in the design of fluorinated ionic liquid crystals (ILCs) 40
Activation of Vegetable Oils by Reaction with Maleic Anhydride as a Renewable Source in Chemical Processes: New Experimental and Computational NMR Evidence 39
DFT calculation of NMR δ(113Cd) in cadmium complexes 39
Xenon Dynamics in Ionic Liquids: A Combined NMR and MD Simulation Study 38
Synthesis and characterization of viologen based ionic liquids and ionic liquid crystals 37
An ultrathin suspended hydrophobic porous membrane for high-efficiency water desalination 37
Synthesis and characterization of viologen-based room-temperature ionic smectogenic compounds 34
Ionic liquid crystals based on viologens and viologen dimers 34
Metastable State during Melting and Solid-Solid Phase Transition of [CnMim][NO3] (n = 4-12) Ionic Liquids by Molecular Dynamics Simulation 34
Understanding the extraordinary deshielding of 129Xe in a permetalated cryptophane by relativistic DFT 33
Insights on the isotropic-to-Smectic a transition in ionic liquid crystals from coarse-grained molecular dynamics simulations: The role of microphase segregation 33
Fully Atomistic Simulations of the Ionic Liquid Crystal [C16mim][NO3]: Orientational Order Parameters and Voids Distribution 32
Comparison of the ionic liquid crystal phase of [C12C1im][BF4] and [C12C1im]Cl by atomistic MD simulations 32
NMR and DFT studies of the aggregation behavior of dicationic dialkyl DABCO bistriflimide salts in solution 32
MD simulation of the mesomorphic behaviour of 1-hexadecyl-3- methylimidazolium nitrate: Assessment of the performance of a coarse-grained force field 31
Totale 8.087
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Categoria #
all - tutte 32.555
article - articoli 31.783
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 270
Totale 64.608
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020903 0 0 0 0 138 114 114 156 131 133 44 73
2020/20212.101 24 74 774 134 70 66 29 276 254 101 131 168
2021/20221.455 51 162 248 59 92 58 71 169 106 29 177 233
2022/2023823 278 88 30 78 116 75 1 40 68 3 28 18
2023/2024427 22 31 45 26 44 91 35 20 9 1 59 44
2024/2025539 1 146 100 71 221 0 0 0 0 0 0 0
Totale 8.387