Studies on adducts of rhodium(II) tetraacetate and rhodium(II) tetratrifluoroacetate with some amines in CDCl3 solution using 1H, 13C and 15N NMR Fulltext Access 11 Pages 2005
Theoretical studies of cooperativity effects in the ternary complexes of nitrous acid with ammonia and water Fulltext Access 11 Pages 2005
Analytical calculation of far infrared spectra of ice in terms of a molecular model Fulltext Access 11 Pages 2005
Formation of a 6FDA-based ring polyimide with nanoscale cavity evaluated by DFT calculations Fulltext Access 11 Pages 2005
The reactivity of [ReBr3(MeCN)(dppe)] towards gaseous nitric oxide. The X-ray structure of [ReBr3(MeCN)(dppe)] and [ReBr3(NO)(dppe)]0.57[ReOBr3(dppe)]0.43 and DFT calculations for [ReBr3(NO)(dppe)] and [ReOBr3(dppe)] Fulltext Access 11 Pages 2005
Alignment of molecules in Langmuir and Langmuir-Blodgett films of binary mixtures of 3,4,9,10-tetra-(n-alkoxy-carbonyl)-perylenes with a liquid crystal Fulltext Access 11 Pages 2005
The influence of halide anions on the molecular structure of bis(N-methylpiperidine betaine) monocation with short hydrogen bond Fulltext Access 11 Pages 2005
Synthesis and characterisation of new ditetrazole-ligands as more rigid building blocks of envisaged iron(II) spin-crossover coordination polymers Fulltext Access 11 Pages 2005
Strong coupling effects in the polarized IR spectra of the chain hydrogen bond systems in 3-pyridinealdoxime and 4-pyridinealdoxime crystals: H/D isotopic self-organization effects in the IR spectra Fulltext Access 11 Pages 2005
Ab initio investigations of some molecular complexes containing hydrogen cyanide: hydrogen-bonded or donor-acceptor? Fulltext Access 11 Pages 2005
Triple helix-tetraplex equilibrium for G-rich oligonucleotide N3â²âP5â² phosphoramidates: role of molecular concentration and counterions Fulltext Access 11 Pages 2005
High-pressure studies on fluorine substituted 2,5-di(phenyl)-1,3,4-oxadiazoles Fulltext Access 11 Pages 2005
A structural investigation on the flexibility of certain o-phthalic acid derivatives Fulltext Access 11 Pages 2005
Spectral characteristics of 2-hydroxynicotinic acid: effects of solvent and acid or base concentrations Fulltext Access 11 Pages 2005
Synthesis, structure and characterisation of two 2,4-diamino-6-R-1,3,5-triazine derivatives (R=3-cyanophenyl and 4-cyanophenyl) Fulltext Access 11 Pages 2005
Semiempirical ZINDO/S, AM1 and ab initio HF/STO-3G and HF/6-31G study of quaternary salts of diazaphenanthrenes with ethyl bromide and 1,3-dibromopropane Fulltext Access 11 Pages 2005
DFT studies of the structure, vibrational and NMR spectra of 2-amino-pyridine betaine monohydrate Fulltext Access 11 Pages 2005
Two-dimensional Penning ionization electron spectroscopic study on outer characteristics of molecules Fulltext Access 11 Pages 2005
Soft X-ray spectromicroscopy of biological and synthetic polymer systems Fulltext Access 11 Pages 2005
Analysis of the Auger-photoelectron coincidence spectroscopy (APECS) spectra of metallic Pd, Ag, and Sn Fulltext Access 11 Pages 2005
Perturbations, internal modes and noise in dispersion-managed soliton transmission Fulltext Access 11 Pages 2005
Spatiotemporal emission dynamics of a broad-area semiconductor laser in an external cavity: stabilization and feedback-induced instabilities Fulltext Access 11 Pages 2005
Bragg grating tuned fiber laser system for measurement of wider range temperature and strain Fulltext Access 11 Pages 2005
On the sensitivity and signal to noise ratio of a step-index fiber optic surface plasmon resonance sensor with bimetallic layers Fulltext Access 11 Pages 2005
Image hiding with computer-generated phase codes for optical authentication Fulltext Access 11 Pages 2005
Propagation of Hermite-cosh-Gaussian laser beams in turbulent atmosphere Fulltext Access 11 Pages 2005
THz transmittance measurements of nucleobases and related molecules in the 0.4- to 5.8-THz region using a GaP THz wave generator Fulltext Access 11 Pages 2005
Radiation forces on a Mie particle in the evanescent field of an optical waveguide Fulltext Access 11 Pages 2005
A new shared-path protection algorithm under shared risk link group constraints for survivable WDM mesh networks Fulltext Access 11 Pages 2005
Effect of the orientational disorder on the hyperpolarizability measurement of amphiphilic push-pull chromophores in Langmuir-Blodgett monolayers Fulltext Access 11 Pages 2005
75%-Efficiency blue generation from an intracavity PPKTP frequency doubler Fulltext Access 11 Pages 2005
Solid state quantum memory using complete absorption and re-emission of photons by tailored and externally controlled inhomogeneous absorption profiles Fulltext Access 11 Pages 2005
Numerical investigation of wide geographical transport networks based on 40 Gb/s transmission with all optical wavelength conversion Fulltext Access 11 Pages 2005
NMR, FT-IR, ESI MS and PM5 semiempirical study of new lasalocid 5-hydroxy-3-oxapentyl ester and its complexes with monovalent cations Fulltext Access 11 Pages 2005
The 1H, 13C, 15N and 117Sn NMR study of the intramolecular Sn-N interaction in tri- and tetraorganotin compounds containing the chiral 2-(4-isopropyl-2-oxazolinyl)-5-phenyl ligand Fulltext Access 11 Pages 2005
Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Fulltext Access 11 Pages 2005
Adsorption of 6-mercaptopurine and 6-mercaptopurine riboside on silver colloid: a pH dependent surface enhanced Raman spectroscopy and density functional theory study. Part I. 6-Mercaptopurine Fulltext Access 11 Pages 2005
Observation of various conformers of 4-cyano-4â²-alkylbiphenyl by IR spectroscopy and density functional theory calculations Fulltext Access 11 Pages 2005
Inhomogeneous electrochemiluminescence. I: Integral encounter theory of kinetics and yield Fulltext Access 11 Pages 2005
An equation of state for gaseous argon determined from the speed of sound Fulltext Access 11 Pages 2005
The FT-IR spectra of glycine and glycylglycine zwitterions isolated in alkali halide matrices Fulltext Access 11 Pages 2005
Ab initio direct dynamics studies on the reactions of chlorine atom with CH3 â nClnCHO (n = 1-3) Fulltext Access 11 Pages 2005
Isotope effects on the hydrodynamic fluctuations of self-associating fluids. A comparison between the Brillouin scattering of 1-octanol and its hydrocarbon chain perdeuterated analogue Fulltext Access 11 Pages 2005
State-to-state reaction rates in gases with vibration-electronic-dissociation coupling: the influence on a radiative shock heated CO flow Fulltext Access 11 Pages 2005
On the single-root approach within the framework of coupled-cluster theory in Fock space Fulltext Access 11 Pages 2005
LDA or GGA? A combined experimental inelastic neutron scattering and ab initio lattice dynamics study of alkali metal hydrides Fulltext Access 11 Pages 2005
Primary charge separation between P* and BA: Electron-transfer pathways in native and mutant GM203L bacterial reaction centers Fulltext Access 11 Pages 2005
Adiabatic and non-adiabatic models for dissociative adsorption kinetics of diatomic molecules X2 on solid surface Fulltext Access 11 Pages 2005
The modification of glassy carbon and gold electrodes with aryl diazonium salt: The impact of the electrode materials on the rate of heterogeneous electron transfer Fulltext Access 11 Pages 2005
Contrasting electroabsorbance behavior of two borderline class II/class III mixed-valence systems Fulltext Access 11 Pages 2005
An hybrid organic-inorganic approach to erbium-functionalized nanodots for emission in the telecom window Fulltext Access 11 Pages 2005
Free NH3 quantum rotations in Hofmann clathrates: structure factors and line widths studied by inelastic neutron scattering Fulltext Access 11 Pages 2005
Absorption spectrum and crystal-field analysis of U4+ ions in CsCdBr3 single crystals Fulltext Access 11 Pages 2005
Electronic and optical properties of functionalized carbon chains with the localized Hartree-Fock and conventional Kohn-Sham methods Fulltext Access 11 Pages 2005
Impurity and vacancy clustering at the Σ3(1 1 1)[1 â1 0] grain boundary in strontium titanate Fulltext Access 11 Pages 2005
A novel accurate representation of a double-valued potential energy surface by the DMBE method. Application to triplet H3+(a3Eâ²) Fulltext Access 11 Pages 2005
HCN2+ dication spectroscopy: theoretical and experimental investigations Fulltext Access 11 Pages 2005
Toward a variational treatment of the magnetic coupling between centers with elevated spin moments Fulltext Access 11 Pages 2005
Molecular structure and spectroscopic properties of 4-nitrocatechol at different pH: UV-visible, Raman, DFT and TD-DFT calculations Fulltext Access 11 Pages 2005
Hydrogen bond mediated magnetism in [CuII(en)2(H2O)][CuII(en)2Ni2Cu2I(CN)10]·2H2O Fulltext Access 11 Pages 2005
An ab initio LAPW study of the α and β phases of bulk molybdenum trioxide, MoO3 Fulltext Access 11 Pages 2005
Quantum chemical and conventional TST calculations of rate constants for the OHÂ +Â alkane reaction Fulltext Access 11 Pages 2005
Femtosecond photoelectron spectroscopy of trans-stilbene above the reaction barrier Fulltext Access 11 Pages 2005
Diatomics-in-molecules study of the photoabsorption spectra of Xen+ clusters Fulltext Access 11 Pages 2005
NIR surface enhanced Raman spectroscopy and bands assignment by DFT calculations of non-natural β-amino acids Fulltext Access 11 Pages 2005
Potential-induced structural transitions of DL-homocysteine monolayers on Au(1Â 1Â 1) electrode surfaces Fulltext Access 12 Pages 2005
Kinetic equations for exactly solvable models of a geminate reaction in the presence of scavengers Fulltext Access 12 Pages 2005
Molecular simulations of outersphere reorganization energies for intramolecular electron and hole transfer in polar solvents Fulltext Access 12 Pages 2005
Molecular assemblies and redox reactions of zinc(II) tetraphenylporphyrin and zinc(II) phthalocyanine on Au(1Â 1Â 1) single crystal surface at electrochemical interface Fulltext Access 12 Pages 2005
The essential role of the electronegativity perturbation in vibronic interactions in positively charged B,N-substituted acenes Fulltext Access 12 Pages 2005
Direct correlation functions and the density functional theory of polar solvents Fulltext Access 12 Pages 2005
Excited state dynamics of a conformationally disordered conjugated polymer: A comparison of solutions and film Fulltext Access 12 Pages 2005
Synergetic mechanisms of structural regulation of the electron transfer and other reactions of biological macromolecules Fulltext Access 12 Pages 2005
Tunneling and resonant conductance in one-dimensional molecular structures Fulltext Access 12 Pages 2005
Hydrogen bonds in 1-indanone: Charge density analysis and simulation of the inelastic neutron scattering spectrum in solid phase Fulltext Access 12 Pages 2005
The effects of H-F and H-D substitutions on Jahn-Teller effects and charge transfer in the monocations of B, N-substituted acenes Fulltext Access 12 Pages 2005
Infrared spectroscopic detection of the methylsilyl (CH3SiH2, X2Aâ²) and the silylmethyl (CH2SiH3, X2Aâ²) radicals and their partially deuterated counterparts in low temperature matrices Fulltext Access 12 Pages 2005