Millimeter-wave study of the CO–N2 van der Waals complex: new measurements of CO–orthoN2 and assignments of new states of CO–paraN2 Fulltext Access 11 Pages 2006
Unfolding of apomyoglobin studied with two-dimensional correlations of tryptophan, 8-anilino-1-naphthalenesulfonate, and pyrene fluorescence Fulltext Access 11 Pages 2006
Application of two-dimensional correlation analysis to Raman optical activity Fulltext Access 11 Pages 2006
Molecular structure, vibrational spectra and photochemistry of 5-mercapto-1-methyltetrazole Fulltext Access 11 Pages 2006
Matrix effect on triatomic CO2 molecule: Comparison between krypton and xenon Fulltext Access 11 Pages 2006
Bis(azido) compounds of Pd and Pt with bulky phosphine ligands (dppn=1,8-bis(diphenylphosphino)naphthalene, dppf=1,1′-bis(diphenylphosphino)ferrocene, 1-dpn=1-diphenylphosphino-naphthalene): Preparation, structures, and reactivity toward isocyanides Fulltext Access 11 Pages 2006
Strong intramolecular hydrogen bonding involving nitro- and acetyl groups. Deuterium isotope effects on chemical shifts Fulltext Access 11 Pages 2006
Rotational spectroscopy of S2O: Vibrational satellites, 33S isotopomers, and the sub-millimeter-wave spectrum Fulltext Access 11 Pages 2006
Vibrational analysis of thiosaccharin and thiosaccharinate anion. A gradient-corrected density functional and experimental study Fulltext Access 11 Pages 2006
Polymeric silver(I) and mercury(II) complexes with chiral bis(pyridyl) ligands Fulltext Access 11 Pages 2006
Conformational behavior of N-methylformamide in the gas, matrix, and solution states as revealed by IR and NMR spectroscopic measurements and by theoretical calculations Fulltext Access 11 Pages 2006
Solid state and solution characterization of a new dinuclear nickel (II) complex: The search for synthetic models for urease Fulltext Access 11 Pages 2006
Design considerations of depressed clad W-shaped single mode dispersion compensating fibers Fulltext Access 11 Pages 2006
Crystal diffraction grating in LiNbO3:Fe derived from interferometric volume holography Fulltext Access 11 Pages 2006
Barnase thermal titration via molecular dynamics simulations: Detection of early denaturation sites Fulltext Access 11 Pages 2006
Conformational analysis of bis(trigonelline) hydrochloride, perchlorate and their monohydrates by the B3LYP calculations, X-ray diffraction and vibrational spectra Fulltext Access 11 Pages 2006
Synthesis, crystal structure and calcination of three novel complexes based on 2-aminopyridine and polyoxometalates Fulltext Access 11 Pages 2006
The vibron model and long molecular chains: Algebraic polyethylene and its first CH stretching overtone Fulltext Access 11 Pages 2006
Oxovanadium(IV) complexes of bioinorganic and medicinal relevance: Synthesis, characterization and 3D molecular modeling and analysis of some oxovanadium(IV) complexes involving the O, N-donor environment of pyrazolone-based sulfa drug Schiff bases Fulltext Access 11 Pages 2006
A study on the spectroscopy and photophysics of 4-hydroxy-3-methoxybenzoic acid in different solvents, pH and β-cyclodextrin Fulltext Access 11 Pages 2006
Structural determination of vanillin, isovanillin and ethylvanillin by means of gas electron diffraction and theoretical calculations Fulltext Access 11 Pages 2006
Vibrational assignment and structure of benzoylacetone: A density functional theoretical study Fulltext Access 11 Pages 2006
Crystal structures and thermal behavior of bis[dibenzyldimethylammonium]CuBr4, bis[dibenzyldimethylammonium]CuCl4 and bis[dimethyldi(2-phenylethyl)ammonium]CuBr4 crystallized from acetonitrile and dilute HX (X=Cl or Br) solutions Fulltext Access 11 Pages 2006
Structural and electronic contributions to hyperpolarizability in methyl p-hydroxy benzoate Fulltext Access 11 Pages 2006
The studies of tautomerism in 6-mercaptopurine derivatives by 1H–13C, 1H–15N NMR and 13C, 15N CPMAS-experimental and quantum chemical approach Fulltext Access 11 Pages 2006
Investigation of a semiconductor bioelectrode with Ohmic behavior in vivo: Impedance spectroscopy of p-type semiconductor electrodes in perfused living heart Fulltext Access 11 Pages 2006
Molecular dynamics and circular dichroism studies of human and rat C-peptides Fulltext Access 11 Pages 2006
Exploring the potential of complex formation between a mutant DNA and the wild type protein counterpart: A MM and MD simulation approach Fulltext Access 11 Pages 2006
A theory of mode of action of azolylalkylquinolines as DNA binding agents using automated flexible ligand docking Fulltext Access 11 Pages 2006
A reactivity index study to monitor the role of solvation on the interaction of the chromophores with amino-functional silanol surface for colorimetric sensors Fulltext Access 11 Pages 2006
Architecture with GIDEON, a program for design in structural DNA nanotechnology Fulltext Access 11 Pages 2006
Biochip fluorescence detection system with spatial and spectral separation Fulltext Access 11 Pages 2006
A connection rule for α-carbon coarse-grained elastic network models using chemical bond information Fulltext Access 11 Pages 2006
Measurements of the isotopic composition of water vapor using a DFG-based spectrometer at 2.8μm Fulltext Access 11 Pages 2006
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods Fulltext Access 11 Pages 2006
Investigation of the properties of a sharp-focusing schlieren system by means of Fourier analysis Fulltext Access 11 Pages 2006
Unveiling hidden features of orphan nuclear receptors: The case of the small heterodimer partner (SHP) Fulltext Access 11 Pages 2006
Microstructuring of glassy carbon mold for glass embossing – Comparison of focused ion beam, nano/femtosecond-pulsed laser and mechanical machining Fulltext Access 11 Pages 2006
Homology modeling of human sialidase enzymes NEU1, NEU3 and NEU4 based on the crystal structure of NEU2: Hints for the design of selective NEU3 inhibitors Fulltext Access 12 Pages 2006
The methylene saga continues: Stretching fundamentals and zero-point energy of X˜3B1 CH2 Fulltext Access 12 Pages 2006
High-resolution infrared analysis of seven fundamental bands of gaseous isothiazole between 750 and 1500 cm−1 Fulltext Access 12 Pages 2006
Molecular dynamics simulations to aid the rational design of organic friction modifiers Fulltext Access 12 Pages 2006
Contemporary artists and colour: Meaning, organisation and understanding Fulltext Access 12 Pages 2006
Novel properties of malarial S-adenosylmethionine decarboxylase as revealed by structural modelling Fulltext Access 12 Pages 2006
Direct FTIR high resolution probe of small and medium size Arn(CO2)m van der Waals complexes formed in a slit supersonic expansion Fulltext Access 12 Pages 2006
High-resolution infrared and theoretical study of gaseous 1,2,5-selenadiazole in the 600-1400Â cmâ1 range Fulltext Access 12 Pages 2006
Vibrational excitations of arsine in the framework of a local unitary group approach Fulltext Access 12 Pages 2006
Combined analysis of the high sensitivity Fourier transform and ICLAS-VeCSEL absorption spectra of D2O between 8800 and 9520Â cmâ1 Fulltext Access 12 Pages 2006
Force constants and transition intensities in the U (ν + 1) model for molecular vibrational excitations Fulltext Access 12 Pages 2006
High resolution electronic study of 16O14N16O, 16O14N18O and 18O14N18O: A rovibronic survey covering 11Â 800-14Â 380Â cmâ1 Fulltext Access 12 Pages 2006
High sensitivity absorption spectroscopy of HDO by ICLAS-VeCSEL between 9100 and 9640Â cmâ1 Fulltext Access 12 Pages 2006
Remote sensing of high temperature H2O-CO2-CO mixture with a correlated k-distribution fictitious gas method and the single-mixture gas assumption Fulltext Access 12 Pages 2006
Infrared extinction by homogeneous particle aggregates of SiC, FeO and SiO2: Comparison of different theoretical approaches Fulltext Access 12 Pages 2006
The rapid determination of fat and protein content in fresh raw milk using the laser light scattering technology Fulltext Access 12 Pages 2006
Effects of Nd:YAG laser treatment on the wettability characteristics of a zirconia-based bioceramic Fulltext Access 12 Pages 2006
3D building reconstruction from aerial CCD image and sparse laser sample data Fulltext Access 12 Pages 2006
Real-time holographic interferometry using photorefractive sillenite crystals with phase-stepping technique Fulltext Access 12 Pages 2006
Determination of residual stress by use of phase shifting moiré interferometry and hole-drilling method Fulltext Access 12 Pages 2006
Nanoscale deformation measurement by using the hybrid method of gray-level and holographic interferometry Fulltext Access 12 Pages 2006
Simultaneous strain and temperature sensor based on the numerical reconstruction of polarization maintaining fiber Bragg gratings Fulltext Access 12 Pages 2006
Improved evaluation of electronic speckle pattern interferograms by photogrammetric image analysis Fulltext Access 12 Pages 2006
Matrix-based paraxial skew ray-tracing in 3D systems with non-coplanar optical axis Fulltext Access 12 Pages 2006
Ray aberrations of two-dimensional oblique lattices on the self-image plane Fulltext Access 12 Pages 2006
Monensin A benzyl ester and its complexes with monovalent metal cations studied by spectroscopic, mass spectrometry and semiempirical methods Fulltext Access 12 Pages 2006
Study of minimum energy conformers of N-substituted derivatives of piperidine and pyrrolidine. Evidence of weak H-bonding by theoretical correlation with experimental NMR data Fulltext Access 12 Pages 2006
Bending and acoustic waves in a water-filled box studied by pulsed TV holography and LDV Fulltext Access 12 Pages 2006
Phases II and IV of 1,3,5-trichloro-2,4,6-trimethylbenzene: Ab initio crystal structure determination by highâresolution powder diffraction Fulltext Access 12 Pages 2006
Second-sphere coordination networks: ‘Tame-ing’ (Tame=1,1,1-Tris(aminomethyl)ethane) the hydrogen bond Fulltext Access 12 Pages 2006
Identification and qualification of temperature signal for monitoring and control in laser cladding Fulltext Access 12 Pages 2006
A density functional theory and resonance Raman study of a benzotriazole dye used in surface enhanced resonance Raman scattering Fulltext Access 12 Pages 2006
A least-squares method to cancel rigid body displacements in a hole drilling and DSPI system for measuring residual stresses Fulltext Access 12 Pages 2006
Molecular structure, conformation, potential to internal rotation, and ideal gas thermodynamic properties of 3-fluoroanisole and 3,5-difluoroanisole as studied by gas-phase electron diffraction and quantum chemical calculations Fulltext Access 12 Pages 2006
Correlation spectroscopy as a tool for detecting losses of ligand elements in laser welding of aluminium alloys Fulltext Access 12 Pages 2006
In-cylinder temperature field measurement with laser shearing interferometry for spark ignition engines Fulltext Access 12 Pages 2006
Vibrational modes of 2,6-, 2,7-, and 2,3-diisopropylnaphthalene. A DFT study Fulltext Access 12 Pages 2006
A comparative vibrational spectroscopic investigation of free mn-12S2O2 and fn-12S2O2 dithiacrown ethers based on DFT calculations Fulltext Access 12 Pages 2006