Synthesis, structure and dielectric property of two H-bonded supramolecular compounds with 1-aminoadamantane based on 18-crown-6 Fulltext Access 7 Pages 2011
Acid–base equilibrium in aqueous solutions of 1,3-dimethylbarbituric acid as studied by 13C NMR spectroscopy Fulltext Access 7 Pages 2011
Structures and conformations of acridinium mono- and polymethine cyanine dyes and their UV–Vis absorption spectra in protic solvents: A PCM/TD-DFT study Fulltext Access 7 Pages 2011
Vibrational spectra of (4E)-4-((E)-3-phenyl-allylideneamino)-1,2-dihydro-2,3-dimethyl-1-phenylpirazol-5-one Fulltext Access 7 Pages 2011
Experimental and theoretical investigation on the vibrational spectroscopy of l-theanine Fulltext Access 7 Pages 2011
Spectroscopic and electrochemical properties of di-2-pyridyl ketone thiosemicarbazone [dpktsc] in non-aqueous media Fulltext Access 7 Pages 2011
Ab initio, DFT, HOMO–LUMO and Natural Bond Orbital analyses of the electronic structure of 2-mercapto-1-methylimidazole Fulltext Access 7 Pages 2011
Structure of methyl 4-(trimethylammonium)benzoate iodide studied by X-ray diffraction, DFT calculations, NMR and FTIR spectra Fulltext Access 7 Pages 2011
Novel substituted 1-iminoisoindoline derivatives: Synthesis, structure determination and antiproliferative activity Fulltext Access 7 Pages 2011
Investigations of drug–DNA interactions using molecular docking, cyclic voltammetry and UV–Vis spectroscopy Fulltext Access 7 Pages 2011
Syntheses, structures, electrochemical measurements and magnetic properties of two iron(III) complexes derived from N,N′-o-phenylenebis(3-ethoxysalicylaldimine) Fulltext Access 7 Pages 2011
Molecular structural studies of the amorphous mineral pitticite Fe, AsO4, SO4, H2O Fulltext Access 7 Pages 2011
Composition of overheated vapors and molecular structure of monomeric tris-hexafluoroacetylacetonates of lanthanum, neodymium and samarium Fulltext Access 7 Pages 2011
Dielectric relaxation in double potassium yttrium orthophosphate K3Y(PO4)2 doped by praseodymium and dysprosium ions Fulltext Access 7 Pages 2011
Optical, thermal and electrical properties of ternary TeO2–WO3–PbO glasses Fulltext Access 7 Pages 2011
A rational synthesis of a new discrete anion [trans-CdBr4Cl2]4− and its comparison with newly synthesized anion [CdBr6]4− Fulltext Access 7 Pages 2011
Dendrimer based terahertz time-domain spectroscopy and applications in molecular characterization Fulltext Access 7 Pages 2011
DFT calculation analysis of terahertz time-domain spectra of polyalanines Fulltext Access 7 Pages 2011
Probing structure and phase-transitions in molecular crystals by terahertz time-domain spectroscopy Fulltext Access 7 Pages 2011
Doppler limited rotational transitions of OH and SH radicals measured by continuous-wave terahertz photomixing Fulltext Access 7 Pages 2011
X-ray diffraction and Raman spectroscopy studies of BaSrMWO6 (MNi, Co, Mg) double perovskite oxides Fulltext Access 7 Pages 2011
Experimental and theoretical study of vibrational spectra of 3-nitrofluoranthene Fulltext Access 7 Pages 2011
Adsorption investigation of MA-DTPA chelating resin for Ni(II) and Cu(II) using experimental and DFT methods Fulltext Access 7 Pages 2011
Synthesis, crystal structure and DNA-binding properties of a new copper(II) complex with l-valine Schiff base and 1,10-phenanthroline Fulltext Access 7 Pages 2011
Iron(II) coordination polymers based on 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene: Structures and magnetic properties Fulltext Access 7 Pages 2011
FT-IR, FT-Raman spectroscopy and computational study of N-carbamimidoyl-4-{[(E)-((2-hydroxyphenyl)methylidene]amino}benzenesulfonamide Fulltext Access 7 Pages 2011
Topology and dynamics of the interaction between 5-nitroimidazole radiosensitizers and duplex DNA studied by a combination of docking, molecular dynamic simulations and NMR spectroscopy Fulltext Access 7 Pages 2011
Electron-phonon coupling in the molecular charge transfer crystal 2-(α-methylbenzylamino)-5-nitropyridine Fulltext Access 7 Pages 2011
Synthesis, characterization, and quantum chemical calculation studies on 3-(3-nitrophenylsulfonyl)aniline Fulltext Access 7 Pages 2011
The new organic ligand: 3-(5-Carboxy-2-chlorophenylaminomethylene)-2-methoxychroman-4-one. Structural, spectral and thermal aspects Fulltext Access 7 Pages 2011
Syntheses, characterizations and structures of NO donor Schiff base ligands and nickel(II) and copper(II) complexes Fulltext Access 7 Pages 2011
Structural studies of PCU-hydrazones: NMR spectroscopy, X-ray diffractions, and DFT calculations Fulltext Access 7 Pages 2011
Would the solvent effect be the main cause of band shift in the theoretical absorption spectrum of large lanthanide complexes? Fulltext Access 7 Pages 2011
Mononuclear mixed-ligand complexes with 4-phenyl-5-pyridin-4-yl-2,4-dihydro-1,2,4-triazole-3-thione and ethylenediamine: Syntheses, spectral and X-ray crystallographic characterization Fulltext Access 7 Pages 2011
Syntheses, structures, and properties of two novel cadmium coordination polymers with 1D and 2D structures Fulltext Access 7 Pages 2011
A combined EPR and DFT study of the overcrowded aromatic radical cations from Friedel–Crafts alkylation reactions Fulltext Access 7 Pages 2011
Fluorine radical interception with radical traps: An experimental and DFT study Fulltext Access 7 Pages 2011
Spectroscopic study of the polymerization of intercalated anilinium ions in different montmorillonite clays Fulltext Access 7 Pages 2011
Synthesis and structural characterization of heteroleptic Cu(I) perchlorate complexes with diimines derived from pyridinyliminobenzoic acids Fulltext Access 7 Pages 2011
Thione vs. ketone: The influence of the chalcogenide on weak intermolecular interactions in crystal packing of 4,5-bis(bromomethyl)-1,3-dithiole-2-thione and 4,5-bis(bromomethyl)-1,3-dithiol-2-one Fulltext Access 7 Pages 2011
Comparative study of nanoporous Ln–Cu coordination polymers containing iminodiacetate as bridging ligand Fulltext Access 7 Pages 2011
Experimental and simulated 1H and 13C NMR spectra (GIAO/DFT approach) and molecular and crystal structures of dimethyl-dinitro-azo- and dimethyl-dinitro-hydrazo-pyridines Fulltext Access 7 Pages 2011
Selective adsorption of PVP on the surface of silver nanoparticles: A molecular dynamics study Fulltext Access 7 Pages 2011
The structure elucidation of mequindox and 1,4-bisdesoxymequindox: NMR analyses, FT-IR spectra, DFT calculations and thermochemical studies Fulltext Access 7 Pages 2011
Hydrogen bonding chains and rings structural motifs in new series of N-phthaloyl aminocarboxylic acid derivatives. Solid state microwave synthesis, structural chemistry, computational calculations and antimicrobial activity Fulltext Access 7 Pages 2011
Experimental and theoretical investigation of molecular structure and conformation of the 4-isopropylthioxanthone Fulltext Access 7 Pages 2011
Structural elucidation, Hirshfeld surface analysis and quantum mechanical study of para-nitro benzylidene methyl arjunolate Fulltext Access 7 Pages 2011
Resonant two-photon ionization spectroscopy of the 35Cl and 37Cl isotopomers of cis and trans 3-chloro-4-fluoroanisole Fulltext Access 7 Pages 2011
Two Ag(I) coordination polymers derived from melamine and dicarboxylates: Syntheses, crystal structures and thermal stabilities Fulltext Access 7 Pages 2011
Amorphous and nanostructured silica and aluminosilicate spray-dried microspheres Fulltext Access 7 Pages 2011
Effect of lithium salt concentration on crystallinity of poly(vinylidene fluoride-co-hexafluoropropylene)-based solid polymer electrolytes Fulltext Access 7 Pages 2011
Redox and structural aspects on iron inositol 1,2,3-trisphosphate interaction: An experimental and computational approach Fulltext Access 7 Pages 2011
Copper and cerium co-doped titanium dioxide on catalytic photo reduction of carbon dioxide with water: Experimental and theoretical studies Fulltext Access 7 Pages 2011
Synthesis, structure and properties of hexacoordinated compounds of cadmium(II) halides/pseudohalides containing a pentadentate N-donor Schiff base Fulltext Access 7 Pages 2011
Synthesis, spectral characterizations and biological studies of transition metal mixed ligand complexes: X-ray crystal structures of [Cu(oda)(Bipy)(H2O)]·4H2O and [VO(oda)(Bipy)]·2H2O Fulltext Access 7 Pages 2011
Theoretical study on the adsorption behaviors of H2O and NH3 on hydrogen-terminated ZnO nanoclusters and ZnO graphene-like nanosheets Fulltext Access 7 Pages 2011
Configurational sequence determination of poly(isobornyl acrylate) by NMR spectroscopy Fulltext Access 7 Pages 2011
Novel oxorhenium complex of 2-(2-pyridyl)-4-methylthiazole-5-carboxylic acid – Synthesis, spectroscopic characterization, X-ray structure and DFT calculations Fulltext Access 7 Pages 2011
Structure of 3,4-dicarboxy-1-methylpyridinium inner salt studied by X-ray diffraction, DFT calculations, FTIR, Raman and NMR spectra Fulltext Access 7 Pages 2011
Two new layer structures of zinc(II) or strontium(II) diphosphonates based on N,N-dimethylaminomethane-1,1-diphosphonate ligand Fulltext Access 7 Pages 2011
Theoretical structural and experimental vibrational study of niobyl nitrate Fulltext Access 7 Pages 2011
Study on inclusion complexation between plant growth regulator 6-benzylaminopurine and β-cyclodextrin: Preparation, characterization and molecular modeling Fulltext Access 7 Pages 2011
A combined experimental and theoretical study on weisiensin B with cytotoxicity Fulltext Access 7 Pages 2011
Intra- and intermolecular H-bond mediated tautomerization and dimerization of 3-methyl-1,2-cyclopentanedione: Infrared spectroscopy in argon matrix and CCl4 solution Fulltext Access 7 Pages 2011
Synthesis, crystal structure and thermal properties of two new hybrid octamolybdates supported nickel complexes Fulltext Access 7 Pages 2011
Binding of fluoroanions by a cationic cobalt(III) complex: Syntheses, characterization and single crystal X-ray structure determination of [Co(phen)2CO3]BF4 and [Co(phen)2CO3]PF6·3H2O Fulltext Access 7 Pages 2011
Synthesis, X-ray and spectroscopic analysis of 2-hydrazino-6-methyl-4-(methoxymethyl)-5-nitropyridine-3-carbonitrile Fulltext Access 7 Pages 2011
Electro-optical switching studies on 1,3-phenylene based banana shaped liquid crystals Fulltext Access 7 Pages 2011
Molecular structure of (Z)-6-[(5-chloro-2-hydroxyphenylamino) methylene]-3-(diethylamino)cyclohexa-2,4-dienone: A combined experimental and theoretical study Fulltext Access 7 Pages 2011
FT-IR, FT-Raman and computational study of 1H-2,2-dimethyl-3H-phenothiazin-4[10H]-one Fulltext Access 7 Pages 2011
Experimental and density functional theory (DFT) studies on (E)-2-Acetyl-4-(4-nitrophenyldiazenyl) phenol Fulltext Access 7 Pages 2011
Synthesis, structural characterization and thermal properties of a new Cd(II) complex: As bithiazole precursor for preparation of CdS nanoparticles Fulltext Access 7 Pages 2011
X-ray diffraction and spectroscopic verification of dimerization in hexasubstituted para-nitrosophenols Fulltext Access 7 Pages 2011
Concerning the electronic and geometric structure of bromodifluoroacetonitrile, CBrF2CN Fulltext Access 7 Pages 2011
Molecular structure and stabilities of fumaric acid conformers: Gas phase electron diffraction (GED) and quantum-chemical studies Fulltext Access 7 Pages 2011
FTIR spectroscopy structural analysis of the interaction between Lactobacillus kefir S-layers and metal ions Fulltext Access 7 Pages 2011
Synthesis and structural study of benzamarones by X-ray and NMR spectroscopy Fulltext Access 7 Pages 2011
Decarboxylation of Δ9-tetrahydrocannabinol: Kinetics and molecular modeling Fulltext Access 7 Pages 2011
Comparison of two binuclear vanadium–catecholate complexes: Synthesis, X-ray structure and effects in cancer cells Fulltext Access 7 Pages 2011
Synthesis and characterization of a new 4-pyridone derivative and its complexation of iron(III) Fulltext Access 7 Pages 2011
Synthesis, DNA-binding, DNA-photocleavage and antioxidant activity of ruthenium(II) complex containing triazine ring ligand: [Ru(dmb)2(pdta)](ClO4)2 Fulltext Access 7 Pages 2011
Conformational profile and vibrational assignments of hippuric and 4-aminohippuric acids Fulltext Access 7 Pages 2011
Spectral properties and orientational order of tetrafluoro-pentenyl-perylene dye in uniformly aligned liquid-crystalline films Fulltext Access 7 Pages 2011
Crystal structure and vibrational studies of butylenediammonium pentachlorobismuthate (III) hydrate [NH3(CH2)4NH3]BiCl5⋅H2O Fulltext Access 7 Pages 2011
Synthesis, mesomorphic and physical properties of two new analogs of Schiff’s base with an alkenic terminal chains Fulltext Access 7 Pages 2011
Ion-pair charge transfer complex with near-IR absorption: Synthesis, crystal structure and properties of [Hb]2[Cu(mnt)2] (Hb = 1-(4-((1H-imidazol-1-yl)methyl)benzyl)-1H-imidazol-3-ium) Fulltext Access 7 Pages 2011
Effect of time and storing conditions on iron forms in ferrous gluconate and Ascofer® Fulltext Access 7 Pages 2011
From molecular to coordination complex: Two new supramolecular networks involving 4,4â²-bipy, aminosalicylic acid and Co(II) ions Fulltext Access 7 Pages 2011
Hydrogen bonded complexes of acetylene and boric acid: A matrix isolation infrared and ab initio study Fulltext Access 7 Pages 2011