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JOURNAL OF MOLECULAR STRUCTURE
Rivista
Codice:
E092807
ISSN:
0022-2860
Dati Generali
Dati Generali
Pubblicazioni (111)
Pulisci
Ordina Pubblicazioni:
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decrescente
2-thioxo-3N-(2-methoxyphenyl)-5 [4 '-methyl-3 ' N-(2 '-methoxyphenyl) thiazol-2 '(3 ' H)-ylidene] thiazolidin-4-one: Synthesis, characterization, X-ray single crystal structure investigation and quantum chemical calculations
Articolo
A 2-dimensional ring-puckering potential-energy surface for ethylene carbonate from ab initio and flexible model computations
Articolo
A Raman study of the interactions of streptavidin with biotin and biotinyl derivatives
Articolo
A microwave free jet absorption spectrometer and its first applications
Articolo
A spectroscopic and pulse radiolysis study of allopurinol and its copper complex
Articolo
A spectroscopic investigation of captopril and the Cu(II)-captopril system
Articolo
A supramolecular non centrosymmetric 2,6-diaminopyridinium perchlorate salt: Crystal structure and optoelectronic DFT study
Articolo
A theoretical study of the conformational behaviour of the S-methyl ester of dithiocarbazic acid
Articolo
Adapting and testing a portable Raman spectrometer for SERS analysis of amino acids and small peptides
Articolo
Aggregation effects in aqueous solutions of Star-polymers by spectroscopic investigations
Articolo
An ab-initio SCF-MO study of the solvent effect in alfa-substituted carbanions
Articolo
An elastic neutron scattering on dynamical transition in hydrogen-bonded systems
Articolo
Bidentate cation-anion coordination in the ionic liquid 1-ethyl-3-methylimidazolium hexafluorophosphate supported by vibrational spectra and NBO, AIM and SQMFF calculations
Articolo
Centrifugal-distorsion and the ring puckering vibration in the microvawe-spectrum of 2,3-Dihydrofuran
Articolo
Characterisation of keratin biomass from butchery and wool industry wastes
Articolo
Chiral recognition and complexation behaviour of beta-CyD vs L- and DL-serine by FTIR-ATR spectroscopy
Articolo
Combined theoretical and spectroscopic Raman study of 3,4-ethylenedioxy and S,S-dioxide substituted terthiophenes and their parent polymers
Articolo
Combined vibrational spectra of natural wardite
Articolo
Confocal Raman microscopy for in depth analysis in the field of cultural heritage
Articolo
Confocal Raman microscopy for in depth analysis in the field of cultural heritage
Articolo
Conformation of furfurylamine studied by microwave spectra of five deuterated isotopomers of furfurylamine
Articolo
Conformational and electronic effects in dehydroaminoacid derivatives
Articolo
Conformational properties of beta-residue containing oligopeptides in apolar solvent
Articolo
Conformationally disordered crystals and their influence on material properties: The cases of isotactic polypropylene, isotactic poly(1-butene), and poly(L-lactic acid)
Articolo
Copper(II)-Quercetin complexes in aqueous solutions: spectroscopic and kinetic properties,
Articolo
Crystal structure of a novel Hg(II) complex, [Hg(tri-2-furylphosphine)(2)(tri-2 furylphosphinoxide) (3) ] [ClO4](2).
Articolo
Crystal structure, DFT studies and thermal characterization of new luminescent stannate (IV) based inorganic-organic hybrid compound
Articolo
Density expansion of the dynamic structure factor from molecular dynamics simulation
Articolo
Dielectric relaxation and the conformer equilibrium in the liquid and glassy states of b-D-fructose
Articolo
Diffusion in polymers as investigated by two-dimensional correlation spectroscopy: The H2O/PCL system
Articolo
Effect of sulfoxides on the thermal denaturation of hen Lysozyme: a calorimetric and Raman study
Articolo
Effect of sulfoxides on the thermal denaturation of hen lysozyme: A calorimetric and Raman study
Articolo
Effect of transition metal binding on the tautomeric equilibrium of the carnosine imidazolic ring
Articolo
Effects on sorption and diffusion in PTMSP and TMSP/TMSE copolymers of free volume changes due to polymer ageing
Articolo
Elastic incoherent neutron scattering of rotational and translational dynamics in liquid crystals
Articolo
Experimental and DFT studies on structure, spectroscopic and thermal properties of N-Methyl-N,N,N-trioctylammonium chloride ionic liquid
Articolo
Experimental and theoretical study on interaction of the barium cation with antamanide
Articolo
Extraction and DFT study on complexation of the barium cation with [Gly
6
]-antamanide
Articolo
FT-IR and dielectric study of water/AOT liquid crystals
Articolo
FTIR analysis of the high pressure response of native insulin assemblies
Articolo
Fast dissociation of resonantly core excited H2S studied by vibrational and temporal analysis of the Auger spectra
Articolo
Fully ab initio IR spectra for complex molecular systems from perturbative vibrational approaches: Glycine as a test case
Articolo
High resolution spectroscopy of the S-1<-S-0 electronic transition of 4-fluorostyrene in a molecular beam
Articolo
Inelastic neutron scattering and DFT study of potassium hydrogen phthalate
Articolo
Interaction of the univalent silver cation with [Gly(6)]-antamanide: Experimental and theoretical study
Articolo
Interaction of the univalent thallium cation with antamanide: Experimental and theoretical study
Articolo
Investigations of the effects of the growth of SnO2 nanoparticles on the structural properties of glass-ceramic planar waveguides using Raman and FTIR spectroscopies
Articolo
Ion beam induced defects in graphene: Raman spectroscopy and DFT calculations
Articolo
Ionization of Carbonyl Sulfide/Disulfur Monoxide Mixtures in Atmospheric Gases: a Theoretical Study of the Formation of S3O+ Ions
Articolo
Jahn-Teller effect in the magnesium phthalocyanine anion
Articolo
Laser sources for efficient two-step Positronium excitation to Rydberg states
Articolo
Media effects in modulating the conformational equilibrium of a model compound for tumor necrosis factor converting enzyme inhibition
Articolo
Microvawe spectra and ring puckering vibrations in dihydrothiophenes
Articolo
Microwave spectrum of the axial conformer and potential energy function of the ring puckering motion in fluorocyclobutane
Articolo
Molecular interactions of CO2 with the CuBTC metal organic framework: An FTIR study based on two-dimensional correlation spectroscopy
Articolo
On the behaviour of water hydrogen bonds at biomolecular sites: Dependences on temperature and on network dimensionality
Articolo
Para-xylyl linked bis-imidazolium ionic liquids: A study of the conformers of the cation and of the anion-cation hydrogen bonding
Articolo
Pectin functionalised by fatty acids: Diffuse reflectance infrared Fourier transform (DRIFT) spectroscopic characterisation
Articolo
Phototautomerism of triazolo-triazole scaffold
Articolo
Porphyrin aggregation in aqueous solutions: Small angle and quasielastic light scattering results
Articolo
Quantum and molecular mechanic calculations on modified silica nano ring
Articolo
Quasielastic light scattering in polymer-containing microemulsion
Articolo
Radiation Damage of Lysozyme in a Biomimetic Model: Some Insights by Raman Spectroscopy
Articolo
Raman and SERS study on atrazine, prometryn and simetryn triazine herbicides.
Articolo
Raman and Surface-Enhanced Raman Scattering (SERS) investigation of the quercetin interaction with metals: evidence of structural changing processes in aqueous solution and on metal nanoparticles
Articolo
Raman spectroscopic studies on the Interactions between 5,5 diphenylhydantoin antiserum proteins and cross-reactant agents
Articolo
Rotational spectrum of 2-fluorobenzyl alcohol
Articolo
SERS study of self-assembled carbazolyl-diacetylene monolayers polymerized on gold surfaces
Articolo
STRUCTURAL-PROPERTIES OF MICELLAR SOLUTIONS
Articolo
Silicon nanocrystals by thermal annealing of Si-rich silicon oxide prepared by the LPCVD method
Articolo
Small angle scattering study of the structure of isotactic polypropylene-hydrogenated oligo(cyclopentadiene) blends
Articolo
Small-angle neutron scattering from lecithin reverse micelles
Articolo
Specific and non-specific influence of the environment on dihydrogen bonding and proton transfer to [RuH2{P(CH2CH2PPh2)3}]
Articolo
Spectroscopic techniques applied to the characterization of decorated potteries from Caltagirone (Sicily, Italy)
Articolo
Spectroscopy and monitoring of high pressure phenomena
Articolo
Spectroscopy of 4-fluorostyrene clusters
Articolo
Structure factor of liquid deuterium: a neutron diffraction experiment
Articolo
Surface characterization of thin silicon-rich oxide films
Articolo
Swelling Processes in Aqueous Polymer Solutions by PCS and Raman scattering
Articolo
Synthesis and crystal structure determination of the bicyclic [bis(mu-P,N-1-benzyl-2-imidazolyl-diphenylphosphine) (mu-O,O '-diperchlorate)dimercury(II)] [diperchlorate]
Articolo
Synthesis and spectroscopic 27Al NMR and Raman characterization of new materials based on the assembly of [AlO4 Al12 (OH)24 (H2 O)12]7 + isopolycation and Co-Cr and [AlMo6 O24 H6]3 - Anderson heteropolyanions
Articolo
Synthesis of carbonated hydroxyapatites: Efficiency of the substitution and critical evaluation of analytical methods
Articolo
Synthesis, NMR, IR, Raman spectra and DFT calculations of 1-octyl-1,4-diazabicyclo [2.2.2] octan-1-ium bis(trifluoromethylsulfonyl)imide
Articolo
Synthesis, NMR, vibrational spectroscopy, thermal and DFT studies of new DABCO hexafluorophosphate based ionic liquid
Articolo
Synthesis, PXRD structural determination, Hirshfeld surface analysis and DFT/TD-DFT investigation of 3N-ethyl-2N '-(2-ethylphenylimino) thiazolidin-4-one
Articolo
Synthesis, conductivity, and vibrational spectroscopy of tetraphenylphosphonium bis(trifluoromethanesulfonyl)imide
Articolo
Synthesis, conformational studies, vibrational spectra and thermal properties, of new 1,4-(phenylenebis(methylene) bis(methyl-imidazolium) ionic liquids
Articolo
Synthesis, molecular and solid state structure of 5-(5-nitro furan-2-ylmethylen), 3-N-(2-methoxy phenyl), 2-N?-(2-methoxyphenyl) imino thiazolidin-4-one: X-ray powder diffraction and DFT studies
Articolo
Synthesis, molecular structure, and properties of DABCO bromide based ionic liquid combining spectroscopic studies with DFT calculations
Articolo
Synthesis, optical properties and supramolecular order of p-conjugated 2,5-di(alcoxy)phenyleneethynylene oligomers
Articolo
Synthesis, structural, biocomputational modeling and antifungal activity of novel armed pyrazoles
Articolo
Synthesis, thermal properties, vibrational spectra and computational studies of Trioctylmethylammonium bis(trifluoromethylsulfonyl)imide ionic liquid
Articolo
Synthesis, thermal stability, vibrational spectra and conformational studies of novel dicationic meta-xylyl linked bis-1-methylimidazolium ionic liquids
Articolo
Synthesis, vibrational and thermal studies of new 3,3'-dibutyl-1,1'-(1,4-phenylenedimethylene)-bis (1H-imidazolium) ionic liquids: An experimental and quantum computational investigation
Articolo
The 1D and 0D weakly hydrogen-bonded adducts 18-crown-6/4-phenylthiosemicarbazide (1/2) and cis-anti-cis-dicyclohexyl-18-crown-6/N,N -diphenylthiourea (1/2)
Articolo
The conformation of ethylenurea from microvawe spectroscopy and ab initio computations
Articolo
The internal rotation and inversion pathways of the NH2 group in equatorial amino cyclobutane
Articolo
The reaction heats and PM5 semiempirical studies of complexes formed between silicon podand and monovalent cations
Articolo
The reaction of the organometallic acid [(h5-C5H4COOH)2CoIII]+ with HBr and HI. Preparation and characterization of [(h5-C5H4COOH)2CoIII]Br and [(h5-C5H4COOH)2CoIII]I and hydrogen bridges between cations.
Articolo
Theoretical and experimental investigation on the spectroscopic properties of indigo dye
Articolo
Thermal and spectroscopic studies of zeolites exchanged with metal cations
Articolo
Transient absorption spectroscopy of a heteroaromatic donor-acceptor-?-conjugated 2,2?-bipyridine dye
Articolo
Tuning the physical properties of a metal complex by molecular techniques: the design and the synthesis of the simplest cobalt-o-dioxolene complex undergoing valence tautomerism
Articolo
Uncorrelated jumps model for molecular orientational relaxation in liquid crystals
Articolo
Versatile Pulsed Laser Setup for Depth Profiling Analysis of Multilayered Samples in the Field of Cultural Heritage.
Articolo
Vibrational Characterization of Self-Assembling Oligopeptides for Tissue Engineering on TiO2 Surfaces
Articolo
Vibrational Investigation on the copper(II) binding mode of carcinine and its pH dependence
Articolo
Vibrational and thermal characterization of a new chiral drug under investigation for the therapy of congestive heart failure
Articolo
Vibrational spectra of augelites Al2(OH)3(XO4) (X = P, As, V)
Articolo
Vibrational study on the cobalt binding mode of carnosine
Articolo
Waveguide Raman Spectroscopy: a non-destructive tool for the characterisation of amorphous thin films
Articolo
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