Theoretical calculations for line-broadening and pressure-shifting in the fundamental and first two overtone bands of CO-H2 Fulltext Access 8 Pages 2005
Association of model peptides and dehydropeptides: N-acetyl-l-alanine- and dehydroalanine Nâ²,Nâ²-dimethylamides Fulltext Access 8 Pages 2005
Proton solvates, H+·nH2O·mL, formed by diphosphine dioxides with chlorinated cobalt(III) dicarbollide acid Fulltext Access 8 Pages 2005
X-ray diffraction studies of three 1-phenylethynylgermatranes with two phenyl groups in atrane skeleton Fulltext Access 8 Pages 2005
Internal rotations of aromatic polyamides: a density functional theory study Fulltext Access 8 Pages 2005
Synthesis, spectroscopic and structural characterization of [Cu(phen)(C5O5)(H2O)]·H2O, [Ni(terpy)(C5O5)(H2O)]·H2O and [Ni(terpy)2](NO3)2·0.5H2O Fulltext Access 8 Pages 2005
Identification of a new supramolecular synthon in o-anisaldehydes: molecular self-assembly into tapes and staircases Fulltext Access 8 Pages 2005
The experimental and computational study on the IR spectra and structure of pyridine-3-carboxamide (nicotinamide)-d0 and -d2 Fulltext Access 8 Pages 2005
Syntheses, characterization and fluorescent properties of two square pyramidal Cu (II) inorganic-organic hybrid polymers Fulltext Access 8 Pages 2005
Synthesis, crystal structures and IR spectra of isotypic pseudopolymorphs complexes of Zn(II) by indole-2-carboxylic acid and 2,9-dimethyl-1,10-phenanthroline with different solvates (DMA, DMF or DMSO) Fulltext Access 8 Pages 2005
The use of CAAARS (Computer Aided Assignment of Asymmetric Rotor Spectra) in the analysis of rotational spectra Fulltext Access 8 Pages 2005
Microwave spectrum, r0 structure, barriers to internal rotation and ab initio calculations of gauche-1,1-difluoropropane Fulltext Access 8 Pages 2005
Conformational instability of a proximally-difunctionalized calix[4]-diquinone Fulltext Access 8 Pages 2005
Rotational spectrum, nuclear quadrupole coupling constants, and structure of six isotopomers of the argon-chlorocyclobutane van der Waals complex Fulltext Access 8 Pages 2005
Structure and barrier to internal rotation of 4-methylstyrene in the S0- and S1-state Fulltext Access 8 Pages 2005
Sub-Doppler RQ-branch spectra and ab initio dipole derivative calculation for the ν11 (au) CH2-wagging mode of 1,3-butadiene Fulltext Access 8 Pages 2005
Syntheses, crystal structures and properties of one sodium(I) directed three-dimensional coordination polymer and one propeller-like dinuclear copper(II) complex with (1S,3R)-3-carbamoyl-2,2,3-trimethylcyclopentane-1-carboxylate Fulltext Access 8 Pages 2005
Quantum-mechanical calculations of magnesium aspartate-arginine structure and spectroscopic characteristics Fulltext Access 8 Pages 2005
Study by electronic circular dichroism spectroscopy of the interaction between aminooxy analogues of biogenic polyamines and selected oligonucleotides Fulltext Access 8 Pages 2005
Sol-gel derived hydroxyapatite coatings on titanium and its alloy Ti6Al4V Fulltext Access 8 Pages 2005
Raman, IR and thermal study of a new highly biocompatible phosphorylcholine-based contact lens Fulltext Access 8 Pages 2005
Covalent grafting of copper-amino acid complexes onto chloropropylated silica gel-an FT-IR study Fulltext Access 8 Pages 2005
The adsorption of benzene on industrially important nanostructured catalysts (H-BEA, H-ZSM-5, and H-FAU): confinement effects Fulltext Access 8 Pages 2005
Molecular structure of the uranyl mineral uranopilite-a Raman spectroscopic study Fulltext Access 8 Pages 2005
Comparison of steroid substrates and inhibitors of P-glycoprotein by 3D-QSAR analysis Fulltext Access 8 Pages 2005
Spectral and photophysical properties of the bi-chromophoric fluorene derivatives Fulltext Access 8 Pages 2005
Molecular dynamics of 17α- and 21-hydroxy progesterone studied by NMR. Relation between molecule conformation and height of the barrier for methyl group reorientations in steroid compounds Fulltext Access 8 Pages 2005
Molecular structure and nicotinic activity of arecoline. A gas electron diffraction study combined with theoretical calculations Fulltext Access 8 Pages 2005
Molecular alignment and thermal stability of liquid-crystalline phases in binary mixtures of electron donor and acceptor Fulltext Access 8 Pages 2005
Photoisomerization and photocyclization of 3,5-cyclohexadiene-1,2-diimine and its methyl-substituted derivatives in low-temperature argon matrices Fulltext Access 8 Pages 2005
Time-resolved resonance Raman investigation and ab initio calculations of the T1-state structure of thiocoumarin Fulltext Access 8 Pages 2005
Multinuclear magnetic resonance studies of gaseous and liquid dimethyl ethers Fulltext Access 8 Pages 2005
New lanthanide coordination polymers of 1,2,4,5-benzenetetracarboxylic acid and 4,4â²-bipyridine with 1D channels Fulltext Access 8 Pages 2005
Design rules for peptides with α, β-dehydro-residues: synthesis of a model peptide Boc-Ile-ÎAla-OCH3 and its crystal structures obtained from two different solvents Fulltext Access 8 Pages 2005
Layered solids based on second-sphere coordination interactions: synthesis, spectroscopic characterization, crystal structure and packing of two copper(II) naphthalene-2-sulfonates Fulltext Access 8 Pages 2005
Spectroscopic study, antimicrobial activity and crystal structures of N-(2-hydroxy-5-nitrobenzalidene)4-aminomorpholine and N-(2-hydroxy-1-naphthylidene)4-aminomorpholine Fulltext Access 8 Pages 2005
The influence of ortho-substitution within the ligand on the geometry of the tris(2,2â²-bipyridine)ruthenium(II) and tris(1,10-phenanthroline)ruthenium(II) ions Fulltext Access 8 Pages 2005
Layered zinc (II) and cadmium (II) dicarboxylates with aromatic chelate ligand-syntheses, crystal structures and luminescent properties Fulltext Access 8 Pages 2005
Study of the calcification of PHEMA hydrogels using a two compartment permeation cell Fulltext Access 8 Pages 2005
Structure and dynamics of ionic aggregates in ethylene ionomer membranes: recent electron spin resonance (ESR) studies Fulltext Access 8 Pages 2005
Chiral separation of amino acids in ultrafiltration through DNA-immobilized cellulose membranes Fulltext Access 8 Pages 2005
Reorientational relaxation of aromatic molecules in the molecular cavity of crystalline syndiotactic polystyrene studied by molecular dynamics simulation Fulltext Access 8 Pages 2005
Layered structure and Xe sorption and diffusion properties of low-density liquid-crystalline polyesters with n-alkyl side chains Fulltext Access 8 Pages 2005
Echo-time independent signal modulations using PRESS sequences: A new approach to spectral editing of strongly coupled AB spin systems Fulltext Access 8 Pages 2005
Initially linear echo-spacing dependence of 1/T2 measurements in many porous media with pore-scale inhomogeneous fields Fulltext Access 8 Pages 2005
Magnetic material in head, thorax, and abdomen of Solenopsis substituta ants: A ferromagnetic resonance study Fulltext Access 8 Pages 2005
Plate form three-dimensional gradient coils for L-band ESR imaging experiment Fulltext Access 8 Pages 2005
Optimization of the irradiation power in chemical exchange dependent saturation transfer experiments Fulltext Access 8 Pages 2005
Systematic approach to cutoff frequency selection in continuous-wave electron paramagnetic resonance imaging Fulltext Access 8 Pages 2005
A continuous phase-modulated approach to spatial encoding in ultrafast 2D NMR spectroscopy Fulltext Access 8 Pages 2005
A novel high temperature 1H NMR imaging probe for combustion studies: The behaviour of both a lit and unlit methane gas jet Fulltext Access 8 Pages 2005
Spatially resolved emulsion droplet sizing using inverse Abel transforms Fulltext Access 8 Pages 2005
ESR spectrometer with a loop-gap resonator for cw and time resolved studies in a superconducting magnet Fulltext Access 8 Pages 2005
The single basis filter diagonalization method: A rapid multidimensional data processing scheme Fulltext Access 8 Pages 2005
Tailored utilization of acquired k-space points for GRAPPA reconstruction Fulltext Access 8 Pages 2005
Orientational anisotropic studies by field rotation technique: Near zero-field pulsed EPR experiments of pentacene doped in p-terphenyl Fulltext Access 8 Pages 2005
1H-detected double-J-modulated INEPT-INADEQUATE for simultaneous determination of one-bond and long-range carbon-carbon connectivities and the measurement of all carbon-carbon coupling constants Fulltext Access 8 Pages 2005
Improvement of duty-cycle heating compensation in NMR spin relaxation experiments Fulltext Access 8 Pages 2005
B3LYP study of the conformers and rotamers of isostructural N-methylpiperidine betaine hydrochloride and (1-methylcyclohexyl)-acetic acid. The effect of electrostatic attraction on rotation barriers Fulltext Access 8 Pages 2005
Investigation of 4â²-n-alkyl-4-cyanobiphenyls structure features by IR spectroscopy methods Fulltext Access 8 Pages 2005
Experimental and theoretical infrared spectra of famotidine and its interaction with ofloxacin Fulltext Access 8 Pages 2005
Experimental and theoretical IR, Raman, NMR spectra of 2-, 3- and 4-aminobenzoic acids Fulltext Access 8 Pages 2005
Spectral detection of J-aggregates of cationic porphyrin and investigation of conditions of their formation Fulltext Access 8 Pages 2005
Remote detection and quantification of hot molecular combustion products-experimental instrumentation and determination of optimal infrared spectral micro-windows Fulltext Access 8 Pages 2005
Synthesis of carbonated hydroxyapatites: efficiency of the substitution and critical evaluation of analytical methods Fulltext Access 8 Pages 2005
Solid state characterization of hydroxyprocaine hydrochloride. Crystal polymorphism of local anaesthetic drugs, part VIII Fulltext Access 8 Pages 2005
Syntheses and characterization of four heterometallic Ln-Co or Ln-Ni heptanuclear clusters with glycine as ligand Fulltext Access 8 Pages 2005
Two new layered lead(II) diphosphonates with 1,3,5-benzenetricarboxylate ligands as an intercalated species or a multidentate metal linker Fulltext Access 8 Pages 2005
Molecular mechanics (CONFLEX/MM3) search/minimization study of the conformations of ornoside and escuside Fulltext Access 8 Pages 2005
Evaluation of the odor activity of pyrazine derivatives using structural and electronic parameters derived from conformational study by molecular mechanics (MM3) and ab initio calculations Fulltext Access 8 Pages 2005
Ultra-wide bore 900Â MHz high-resolution NMR at the National High Magnetic Field Laboratory Fulltext Access 8 Pages 2005
Study on the intermolecular interactions of alkylcobaloxime complexes (RCo(dmgH)2L, dmgH=dimethylglyoxime, R=alkyl, L=H2O or pyridine) Fulltext Access 8 Pages 2005
Ion pairing, H-bonding, and Ï-Ï interactions in copper(II) complex-organo-networks derived from a proton-transfer compound of the 1,10-phenanthroline-2,9-dicarboxylic acid Fulltext Access 8 Pages 2005
Structure and photochromic properties of single crystals of spiropyran salts Fulltext Access 8 Pages 2005
Two novel lanthanide 1-D chain coordination polymers of pyridinedicarboxylic acids: hydrothermal synthesis, structure and luminescent properties Fulltext Access 8 Pages 2005
Syntheses, crystal structure and ab initio calculations of two new phosphoric triamides Fulltext Access 8 Pages 2005
Synthesis, crystal structure and properties of three new holmium 2-fluorobenzoato complexes Fulltext Access 8 Pages 2005
Rapid-scan EPR with triangular scans and fourier deconvolution to recover the slow-scan spectrum Fulltext Access 8 Pages 2005
Image artifacts in very low magnetic field MRI: The role of concomitant gradients Fulltext Access 8 Pages 2005
Convection-compensating diffusion experiments with phase-sensitive double-quantum filtering Fulltext Access 8 Pages 2005