Ligand substitution in 1,2-Os3(CO)10(MeCN)2 by the diphosphine (PhO)2PN(Me)N(Me)P(OPh)2: X-ray diffraction structure of 1,2-Os3(CO)10[(PhO)2PN(Me)N(Me)P(OPh)2] and DFT investigation of the isomeric Os3(CO)10[(PhO)2PN(Me)N(Me)P(OPh)2] clusters Fulltext Access 7 Pages 2012
Synthesis, molecular and crystal structure analysis of 2-bromo-4-chloro-6-{[4-(3-methyl-3-phenyl-cyclobutyl)-thiazol-2-yl]-hydrazonomethyl}-phenol by experimental methods and theoretical calculations Fulltext Access 7 Pages 2012
Enantiodifferentiation of chiral baclofen by β-cyclodextrin using capillary electrophoresis: A molecular modeling approach Fulltext Access 7 Pages 2012
δ-Phase evolution in Cd-doped lithium ferrites: Their thermal, electrical and magnetic properties Fulltext Access 7 Pages 2012
Synthesis, physico-chemical characterization and antimicrobial activities of 3-methoxysalicylaldehyde-2-aminobenzoylhydrazone and its transition metal complexes Fulltext Access 7 Pages 2012
A novel difunctional acylhydrazone with isoxazole and furan heterocycles: Syntheses, structure, spectroscopic properties, antibacterial activities and theoretical studies of (E)-N′-(furan-2-ylmethylene)-5-methylisoxazole-4-carbohydrazide Fulltext Access 7 Pages 2012
1H NMR study of the complexation of aromatic drugs with dimethylxanthine derivatives Fulltext Access 7 Pages 2012
Thermodynamics of hydrogen bonding of weak bases in alcohol solutions: Calorimetry of solution, IR-spectroscopy and vapor pressure analysis Fulltext Access 7 Pages 2012
Structure of 2,3-dicarboxy-1-methylpyridinium chloride studied by X-ray diffraction, DFT calculation, NMR, FTIR and Raman spectra Fulltext Access 7 Pages 2012
Hydrogen bonds and electrostatic interactions in the 1:1 complex of DABCO di-betaine with squaric acid: Crystallographic, theoretical and spectroscopic studies Fulltext Access 7 Pages 2012
Raman microspectroscopy discrimination of single human keratinocytes exposed at low dose of pesticide Fulltext Access 7 Pages 2012
Synthesis and fluorescence properties of Tb(III) complex with a novel β-diketone ligand as well as spectroscopic studies on the interaction between Tb(III) complex and bovine serum albumin Fulltext Access 7 Pages 2012
Co-crystal and crystal: Supramolecular arrangement obtained from 4-aminosalicylic acid, bpa ligand and cobalt ion Fulltext Access 7 Pages 2012
Synthesis and structural and vibrational analysis of (5,7-dichloro-quinolin-8-yloxy) acetic acid Fulltext Access 7 Pages 2012
Manganese carbonyl derivatives based on Keggin- or Dawson-type polyoxoanions Fulltext Access 7 Pages 2012
Structural changes of methemoglobin after adsorption on bioactive glass, as a function of surface functionalization and salt concentration Fulltext Access 7 Pages 2012
The tautomerization between keto- to phenol-hydrazone induced by anions in the solution Fulltext Access 7 Pages 2012
Construction of preorganized uracil based polytopic tectons for hydrogen-bonded supramolecular architectures Fulltext Access 7 Pages 2012
Concomitant formation of differently coordinated copper(II) complexes in the same reaction: Structural studies of [trans-Cu(γ-picoline)2(H2O)4](p-toluene sulfonate)2·2H2O and [trans-Cu(γ-picoline)4](p-toluenesulfonate)2·2H2O Fulltext Access 7 Pages 2012
The interplay of hydrogen bonds in the solid state structure of NH-pyrazoles bearing cyano and amino substituents Fulltext Access 7 Pages 2012
FT-IR spectroscopic and thermal study of M(1,6-hexanedithiol)Ni(CN)4⋅2(1,4-dioxane) clathrate (M = Mn, Co, Ni and Cd) Fulltext Access 7 Pages 2012
Synthesis, crystal structure, antibacterial activities, and electrochemical studies of new N,N′-polymethylene bis-sulfonamides Fulltext Access 7 Pages 2012
Structural and electrical properties of ZnF2–Bi2O3–GeO2 glasses doped with CoO Fulltext Access 7 Pages 2012
Dependence of structural, vibrational spectroscopy and optical properties on the particle sizes of CdS/polyaniline core/shell nanocomposites Fulltext Access 7 Pages 2012
Supramolecular hydrogen-bonded structures between melamine and N-heterocycles Fulltext Access 7 Pages 2012
Mesomorphic and structural properties of liquid crystal possessing a chiral lactate unit Fulltext Access 7 Pages 2012
Interactions of squaric acid with DABCO mono-betaine: Structural, spectroscopic and calculation studies Fulltext Access 7 Pages 2012
Copper complex of glycine Schiff base: In situ ligand synthesis, structure, spectral, and thermal properties Fulltext Access 7 Pages 2012
X-ray, FT-IR, NMR and PM5 structural studies and antibacterial activity of unexpectedly stable salinomycin–benzotriazole intermediate ester Fulltext Access 7 Pages 2012
Metal- and anion-directed assemblies of CuII, CoII, NiII, and ZnII coordination polymers based on a bent dipyridyl ligand 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole and malonic acid Fulltext Access 7 Pages 2012
1,3-Bis(3-ammonium-propyl)tetramethyldisiloxane-sulfate: Structural characterization and evaluation of some properties Fulltext Access 7 Pages 2012
Investigating the prototropic tautomerism in (E)-2-[(4-fluorophenyl)iminomethyl]-5-methoxyphenol compound for solid state and solvent media by experimental and quantum computational tools Fulltext Access 7 Pages 2012
Synthesis and characterization of three dinuclear complexes of AgI with 2,3-bis(2-pyridyl)pyrazine and derivated of trifluoromethyldiketonate ligands Fulltext Access 7 Pages 2012
EPR studies of radicals generated by γ-radiation in nanocrystalline hydroxyapatites prepared by dry milling Fulltext Access 7 Pages 2012
Re(I) carbonyl complexes of N-[(2-pyridyl)methyliden]-α (or β)-aminonaphthalene: Synthesis, structure, electrochemistry and DFT analysis Fulltext Access 7 Pages 2012
Single crystal X-ray structure of Lawsone anion: Evidence for coordination of alkali metal ions and formation of naphthosemiquinone radical in basic media Fulltext Access 8 Pages 2012
Synthesis, complexation studies and structural characterization of d and f metal ion complexes with 4-chloroquinaldinic acid N-oxide Fulltext Access 8 Pages 2012
Cardiac T2* measurements in patients with iron overload: a comparison of imaging parameters and analysis techniques Fulltext Access 8 Pages 2012
Structural Properties of EGCG-Induced, Nontoxic Alzheimer's Disease Aβ Oligomers Fulltext Access 8 Pages 2012
Vibrational spectra and DFT calculations of the vibrational modes of Schiff base C18H17N3O2 Fulltext Access 8 Pages 2012
Effect of deltamethrin on the gills of Aphanius dispar: A microscopic study Fulltext Access 8 Pages 2012
An investigation of a genomewide supported psychosis variant in ZNF804A and white matter integrity in the human brain Fulltext Access 8 Pages 2012
A semiautomatic postprocessing of liver R2* measurement for assessment of liver iron overload Fulltext Access 8 Pages 2012
Automatic segmentation of brain white matter and white matter lesions in normal aging: comparison of five multispectral techniques Fulltext Access 8 Pages 2012
Age-related diffusion patterns in human lumbar intervertebral discs: a pilot study in asymptomatic subjects Fulltext Access 8 Pages 2012
Imaging biomarkers to monitor response to the hypoxia-activated prodrug TH-302 in the MiaPaCa2 flank xenograft model Fulltext Access 8 Pages 2012
Use of fat suppression in R2 relaxometry with MRI for the quantification of tissue iron overload in beta-thalassemic patients Fulltext Access 8 Pages 2012
Informatics methods to enable sharing of quantitative imaging research data Fulltext Access 8 Pages 2012
Effects of manganese injected into rat nostrils: implications for in vivo functional study of olfaction using MEMRI Fulltext Access 8 Pages 2012
Effects of variable blast pressures on blood flow and oxygen saturation in rat brain as evidenced using MRI Fulltext Access 8 Pages 2012
Structural, spectroscopic and theoretical studies of the 1:1 complex of N-methylpiperidine betaine with squaric acid Fulltext Access 8 Pages 2012
Understanding changes in DTI metrics in patients with different stages of neurocysticercosis Fulltext Access 8 Pages 2012
A method for the making and utility of gadolinium-labeled albumin microbubbles Fulltext Access 8 Pages 2012
Crystal structure, vibrational and theoretical studies of bis(4-amino-1,2,4-triazolium) hexachloridostannate(IV) Fulltext Access 8 Pages 2012
Structure, Z/E photoisomerization and an effect of (phenylene-)vinylene conjugation extension on absorption and fluorescence of methylidene-pyrrolinones Fulltext Access 8 Pages 2012
Crystal and molecular structure of ammonium beryllium sulfate dihydrate, (NH4)2Be(SO4)2·2H2O Fulltext Access 8 Pages 2012
A biologically relevant iron(III) phenoxyl radical complex: A thermodynamic investigation on the structure-radical stability relationship Fulltext Access 8 Pages 2012
Monomeric and dimeric structures, electronic properties and vibrational spectra of azelaic acid by HF and B3LYP methods Fulltext Access 8 Pages 2012
Molecular structure and vibrational spectra of free and coordinated 3-bromoquinoline: Unexpected intramolecular CHâ¯O interactions Fulltext Access 8 Pages 2012
Structure of methyl 3-(trimethylammonium)benzoate iodide studied by X-ray diffraction, DFT calculations, NMR and FTIR spectra Fulltext Access 8 Pages 2012
Interplay of carbonyl–carbonyl, CH⋯O and CH⋯π interactions in hierarchical supramolecular assembly of tartaric anhydrides – Tartaric acid and its O-acyl derivatives: Part 11 Fulltext Access 8 Pages 2012
Novel quinonediimines derived from amino acid-like structures 2: Characterization and DFT computational study of N,N′-bis(4′-l-phenylalaninyl)-1,4-quinonediimine Fulltext Access 8 Pages 2012
Assembly multi-dimensional CdII coordination architectures based on flexible bis(benzimidazole) ligands: Diversity of their coordination geometries and fluorescent properties Fulltext Access 8 Pages 2012
Synthesis, experimental and theoretical study of the spectroscopic properties in (2E)-3-{3-methoxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one Fulltext Access 8 Pages 2012
Structural characterization of kaolinite-nicotinamide intercalation composite Fulltext Access 8 Pages 2012
Synthesis of Aryl-1,2,4,5-tetrazinane-3-thiones, in vitro DNA binding studies, nuclease activity and its antimicrobial activity Fulltext Access 8 Pages 2012
Vibrational and electronic absorption spectra of (Z)-2-(4-nitrobenzylidene)-1-benzofuran-3(2H)-one Fulltext Access 8 Pages 2012
Designing of a fluoride selective receptor through molecular orbital engineering Fulltext Access 8 Pages 2012
Pyridylmethylsilanes as dicarboxyacid receptors: Experimental and theoretical study Fulltext Access 8 Pages 2012
Synthesis and deprotonation of (phenylselenolatodimethylsilyl)bis(trimethylsilyl) methane: The crystal structure of (Me3Si)2(Me2SiBr)CH Fulltext Access 8 Pages 2012
Molecular structure of 4-benzoyl-3-ethylcarboxylate 1-(4-methoxyphenyl)-5-phenyl-1H-pyrazole: A combined experimental and theoretical study Fulltext Access 8 Pages 2012
A tellurium-based cathepsin B inhibitor: Molecular structure, modelling, molecular docking and biological evaluation Fulltext Access 8 Pages 2012
Novel dimeric leuco-TAM dyes, 1,4-bis{(1E,3Z)-1,3-bis(1,3,3-trimethylindolin-2-ylidene)propan-2-yl}benzene derivatives: Structure and spectroscopic characterization Fulltext Access 8 Pages 2012
Short hydrogen bonds in a new salt of pyromellitic acid: An experimental charge density investigation Fulltext Access 8 Pages 2012
Persubstituted p-benzoquinone monoxime alkyl ethers and their molecular structure Fulltext Access 8 Pages 2012
Self-enhanced controllable growth of ZnO micro-flowers from nanospikes and its transformation to nanoparticles by using compositional variation: Essential dielectric switching applications Fulltext Access 8 Pages 2012
Conformational and stereoeletronic investigations of muscarinic agonists of acetylcholine by NMR and theoretical calculations Fulltext Access 8 Pages 2012
Mass spectrometric and theoretical studies on the decarboxylation of the anionic lithium complexes of the doubly deprotonated dicarboxylic acids Fulltext Access 8 Pages 2012
Comparison of the performance of different DFT methods in the calculations of the molecular structure and vibration spectra of serotonin (5-hydroxytryptamine, 5-HT) Fulltext Access 8 Pages 2012
Rapid discrimination of three kinds of Radix Puerariae and their extracts by Fourier transform infrared spectroscopy and two-dimensional correlation infrared spectroscopy Fulltext Access 8 Pages 2012
Conformational analysis of a seven-membered ring azasugar, (3R,4R,6S)-trihydroxyazepane: Comparison of GIAO calculation and experimental NMR spectra on 13C chemical shifts Fulltext Access 8 Pages 2012
Synthesis, characterization, DNA-binding and cytotoxic properties of Ru(II) complexes: [Ru(MeIm)4L]2+ (MeIm = 1-methylimidazole, L = phen, ip and pip) Fulltext Access 8 Pages 2012
FT-IR, FT-Raman and fluorescence studies of Tb3+ ions activated lead containing sodium fluoroborate glasses Fulltext Access 8 Pages 2012
A containerless study of short-range order in high-temperature Fe-Si-Al-Ca-Mg-Cr-Cu-Ni oxide systems Fulltext Access 8 Pages 2012
Synthesis, crystal structure, and characterization of thiophene-3-carboxaldoxime complexes with cobalt(II), nickel(II) and copper(II) halides Fulltext Access 8 Pages 2012
Synthesis, crystal structure and magnetic properties of new molecular, macrocyclic building blocks of Ni(II) and Cu(II) Fulltext Access 8 Pages 2012
MOF with hydroxynaphthoquinone as organic linker: Molecular structure of [Zn(Chlorolawsone)2(H2O)2] and thermogravimetric studies Fulltext Access 8 Pages 2012