Distribuzione geografica
Continente #
NA - Nord America 6501
EU - Europa 417
AS - Asia 288
OC - Oceania 5
SA - Sud America 3
Continente sconosciuto - Info sul continente non disponibili 2
Totale 7216
Nazione #
US - Stati Uniti d'America 6496
CN - Cina 159
VN - Vietnam 122
FI - Finlandia 121
UA - Ucraina 80
DE - Germania 75
SE - Svezia 54
IT - Italia 31
GB - Regno Unito 24
IE - Irlanda 11
FR - Francia 7
PT - Portogallo 6
CA - Canada 5
NL - Olanda 4
NZ - Nuova Zelanda 3
AU - Australia 2
BR - Brasile 2
EU - Europa 2
IN - India 2
BE - Belgio 1
CH - Svizzera 1
ID - Indonesia 1
KR - Corea 1
LK - Sri Lanka 1
NP - Nepal 1
RS - Serbia 1
RU - Federazione Russa 1
TR - Turchia 1
VE - Venezuela 1
Totale 7216
Città #
Fairfield 1206
Woodbridge 879
Ann Arbor 595
Houston 563
Ashburn 497
Seattle 466
Cambridge 443
Wilmington 441
Chandler 406
Jacksonville 399
Princeton 178
Dong Ket 122
San Diego 117
Medford 60
Helsinki 51
Des Moines 46
Beijing 42
Nanjing 41
Roxbury 33
Boardman 29
Nanchang 18
Hebei 15
Shenyang 15
Jiaxing 14
Padova 14
Dublin 11
Indiana 8
Norwalk 8
Kharkiv 7
London 5
Tianjin 4
Bridge 3
Changsha 3
Falls Church 3
New York 3
San Francisco 3
Borås 2
Canberra 2
Haikou 2
Stockholm 2
São Paulo 2
Torino 2
Amsterdam 1
Auckland 1
Belgrade 1
Brendola 1
Brussels 1
Chieti 1
Colombo 1
Costabissara 1
Fremont 1
Gassino Torinese 1
Guangzhou 1
Jakarta 1
Jawalakhel 1
Jinan 1
Kunming 1
Leawood 1
Paraparaumu 1
Rockville 1
Saint Louis 1
Taiyuan 1
Turin 1
Verona 1
Yellowknife 1
Totale 6783
Nome #
Bulky melamine-based Zn-porphyrin tweezer as a CD probe of molecular chirality 157
Simulated time resolved fluorescence in ordered phases 148
Mimicking enzymes: Cooperation between organic functional groups and metal ions in the cleavage of phosphate diesters 147
Predicting C-13 NMR spectra by DFT calculations 143
103Rh NMR Chemical Shifts in Organometallic Complexes: A Combined Experimental and Density Functional Study 133
Time-resolved fluorescence of intramolecular charge-transfer systems: Experimental results and theoretical predictions 127
Time resolved fluorescence of N,N-dimethylaminobenzonitrile in glycerol triacetate: experimental results and model interpretation 123
Cage effects in the orientational dynamics of a Gay-Berne mesogen 121
Approximate description of Stokes shifts in ICT fluorescence emission 121
A diffusive model for interpreting solvation dynamics in isotropic and ordered liquid phases 119
Melamine-Bridged Bis(Porphyrin-Zn-II) Receptors: Molecular Recognition Properties 119
Addressing the Stereochemistry of Complex Organic Molecules by Density Functional Theory-NMR: Vannusal B in Retrospective 117
NMR techniques for the investigation of solvation phenomena and non-covalent interactions 114
A stochastic cage model for the orientational dynamics of single molecules in nematic phases 113
Insights on Nuclease Mechanism: The Role of Proximal Ammonium Group on Phosphate Esters Cleavage 112
Formylation of activated arenes by phenyl formate: implications for the mechanism of the Fries rearrangement of aryl formates 111
Solvation dynamics of Coumarin 503 in the liquid-crystal mixture ZLI 1167 110
Preferential Solvation and Self-Association in Alcohol-Acetonitrile Mixtures Observed Through Mass-Spectrometric Analysis of Clusters: Influence of Alkyl Chain Length 104
Computational 19F NMR. 1. General Features 100
Ionic liquid crystals based on viologen dimers: tuning the mesomorphism by varying the conformational freedom of the ionic layer 99
Theoretical model of photoinduced intramolecular charge transfer processes 95
Computing the NMR spectrum of a bulk ionic liquid phase by QM/MM methods 95
Preferential solvation of glucose and talose in water/acetonitrile mixtures: a molecular dynamics simulation study 95
Spectroscopic signatures of the carbon buckyonions C60@C180 and C60@C240: a dispersion-corrected DFT study 94
Aggregation Behavior of Octyl Viologen Di[bis(trifluoromethanesulfonyl)amide] in Nonpolar Solvents 93
Calculation of NMR parameters in van der Waals complexes involving organic systems and xenon 92
Solvation of tetraalkylammonium chlorides in acetonitrile-water mixtures: mass spectrometry and molecular dynamics simulations 92
Metal-Mediated J-Coupling in DNA Base Pairs: Relativistic DFT Predictions 91
DFT Calculation of Intermolecular Nuclear Spin-Spin Coupling in van der Waals Dimers 91
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 87
Turning optical chemosensors into optodes: a quantum chemical and experimental case-study 87
MD simulation of xenon in ionic liquids: disentangling the cationic and anionic cage effects on the structural and dynamic properties 86
Mesomorphic and electrooptical properties of viologens based on non-symmetric alkyl/polyfluoroalkyl functionalization and on an oxadiazolyl-extended bent core 85
Computer simulation of diffusion coefficients of the room-temperature ionic liquid [bmim][BF4]: problems with classical simulation techniques 85
Ion pairing in 1-butyl-3-methylpyridinium halides ionic liquids studied by NMR and DFT calculations 85
Observation of scalar nuclear spin-spin coupling in van der Waals complexes 84
Can two molecules have the same NMR spectrum? Hexacyclinol revisited 84
Effect of a structural modification of the bipyridinium core on the phase behaviour of viologen-based bistriflimide salts 82
The 125Te Chemical Shift of Diphenyl Ditelluride: Chasing Conformers over a Flat Energy Surface 81
Thermal behaviour and electrochemical properties of bis(trifluoromethanesulfonyl)amide and dodecatungstosilicate viologen dimers 78
Distribution and Dynamic Properties of Xenon Dissolved in the Ionic Smectic Phase of [C16mim][NO3]: MD Simulation and Theoretical Model 76
Through-space spin-spin coupling in acetylenic systems. Ab initio and DFT calculations 76
A DFT study of the vicinal 3J(119Sn,13C) and 3J(119Sn,1H) coupling constants in trimethyl- and chlorodimethyl-stannyl propanoates 75
Reactivity of auranofin with selenols and thiols - Implications for the anticancer activity of gold(I) compounds 75
Computational 19F NMR. 2. Organic Compounds 74
Substituent Effects on the Through-Space nuclear Magnetic Spin-Spin Coupling in van der Waals Dimers 74
Computational NMR Spectroscopy of Organoarsenicals and the Natural Polyarsenic Compound Arsenicin A 74
Predicting the NMR spectra of nucleotides by DFT calculations: cyclic uridine monophosphate 73
Toward the complete prediction of the H-1 and C-13 NMR spectra of complex organic molecules by DFT methods: Application to natural substances 70
Viologen-based ionic liquid crystals: induction of a smectic A phase by dimerisation 70
An experimental and theoretical study of the mechanism of cleavage of an RNA-model phosphate diester by mononuclear Zn(II) complexes 70
Effect of asymmetric substitution on the mesomorphic behaviour of low-melting viologen salts of bis(trifluoromethanesulfonyl)amide 70
Prediction of the 1H and 13C NMR Spectra of alpha-D-Glucose in Water by DFT Methods and MD Simulations 66
Computational NMR Spectroscopy: Reversing the Information Flow 66
Understanding Cage Effects in Imidazolium Ionic Liquids by 129Xe NMR: MD Simulations and Relativistic DFT Calculations 64
Zero-Field Nuclear Magnetic Resonance Spectroscopy of Viscous Liquids 60
Relativistic DFT calculation of Sn-119 chemical shifts and coupling constants in tin compounds 60
Extended Smoluchowski models for interpreting relaxation phenomena in liquids 57
Computing the 1H NMR Spectrum of the Bulk Ionic Liquid 1-Ethyl-3-methylimidazolium Chloride from Snapshots of Car-Parrinello Molecular Dynamics Simulations 56
A pairwise additive potential for the elastic interaction energy of a chiral nematic 56
Oxadiazolyl-pyridines and perfluoroalkyl-carboxylic acids as building blocks for protic ionic liquids: crossing the thin line between ionic and hydrogen bonded materials 52
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 51
One-bond 1J(15N─19F) spin–spin coupling constants of cationic fluorinating reagents: Insights from DFT calculations 51
“Through-Space” Relativistic Effects on NMR Chemical Shifts of Pyridinium Halide Ionic Liquids 49
Structure of D-ribonic acid-dimethyltin(IV) in coordinating solvents: an experimental and DFT 119Sn NMR study 48
Addressing the stereochemistry of complex organic molecules by density functional theory-NMR 48
Through-space spin-spin coupling in van der waals dimers and CH/pi interacting systems. An ab initio and DFT study 45
Relativistic DFT calculations of the NMR properties and reactivity of transition metal methane sigma-complexes: insights on C–H bond activation 45
Liquid-Liquid Phase Separation of Viologen Bistriflimide/Benzene Mixtures: Role of the Dual Ionic and Organic Nature of Ionic Liquids 45
Uncovering Intramolecular π-Type Hydrogen Bonds in Solution by NMR Spectroscopy and DFT Calculations 44
A combined LX-NMR and molecular dynamics investigation of the bulk and local structure of ionic liquid crystals 44
DFT calculation of 1J(119Sn,13C) and 2J(119Sn,1H) coupling constants in di- and trimethyltin(IV) compounds 44
Computational Spectroscopy of Ionic Liquids for Bulk Structure Elucidation 43
Effect of Ion Rigidity on Physical Properties of Ionic Liquids Studied by Molecular Dynamics Simulation 43
MD simulations of mixtures of charged Gay-Berne and Lennard-Jones particles as models of ionic liquid crystals 41
Role of the Electrostatic Interactions in the Stabilization of Ionic Liquid Crystals: Insights from Coarse-Grained MD Simulations of an Imidazolium Model 36
Ionic Liquid Crystals 35
Aggregation behavior of dihexadecylviologen bistriflimide ionic liquid crystal in different solvents: influence of polarity and concentration 35
Tuning Coulombic interactions to stabilize nematic and smectic ionic liquid crystal phases in mixtures of charged soft ellipsoids and spheres 34
Ionic self assembly in the design of fluorinated ionic liquid crystals (ILCs) 34
Capillary electrophoresis, ROESY NMR and molecular modelling study of the inclusion complex beta-cyclodextrin/lipoic acid 33
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 33
Xenon Dynamics in Ionic Liquids: A Combined NMR and MD Simulation Study 31
DFT calculation of NMR δ(113Cd) in cadmium complexes 31
Ionic liquid crystals based on viologens and viologen dimers 29
Synthesis and characterization of viologen based ionic liquids and ionic liquid crystals 29
Influence of the ion size on the stability of the smectic phase of ionic liquid crystals 29
Understanding the extraordinary deshielding of 129Xe in a permetalated cryptophane by relativistic DFT 28
31P and 195Pt solid-state NMR and DFT studies on platinum(i) and platinum(II) complexes 28
Metastable State during Melting and Solid-Solid Phase Transition of [CnMim][NO3] (n = 4-12) Ionic Liquids by Molecular Dynamics Simulation 27
Comparison of the ionic liquid crystal phase of [C12C1im][BF4] and [C12C1im]Cl by atomistic MD simulations 26
Synthesis and characterization of viologen-based room-temperature ionic smectogenic compounds 25
DFT study of the interaction free energy of π-π complexes of fullerenes with buckybowls and viologen dimers 25
A coarse-grained model of ionic liquid crystals: The effect of stoichiometry on the stability of the ionic nematic phase 25
Fully Atomistic Simulations of the Ionic Liquid Crystal [C16mim][NO3]: Orientational Order Parameters and Voids Distribution 24
Insights on the isotropic-to-Smectic a transition in ionic liquid crystals from coarse-grained molecular dynamics simulations: The role of microphase segregation 24
NMR and DFT studies of the aggregation behavior of dicationic dialkyl DABCO bistriflimide salts in solution 24
Fries rearrangement of aryl formates: A mechanistic study by means of H-1, H-2, and B-11 NMR spectroscopy and DFT calculations 23
Diffusion mechanisms in smectic ionic liquid crystals: Insights from coarse-grained MD simulations 23
Totale 7057
Categoria #
all - tutte 13494
article - articoli 13189
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 88
Totale 26771

Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2017/201850 0000 00 00 51440
2018/2019699 00940 55 047 5112234197
2019/20201274 200552987 138114 114156 1311334473
2020/20212101 2474774134 7066 29276 254101131168
2021/20221455 5116224859 9258 71169 10629177233
2022/2023678 278883078 11675 112 0000
Totale 7276