Fourier transform spectrometer instrument lineshape (ILS) retrieval by Fourier deconvolution Fulltext Access 10 Pages 2005
Mass spectrometric and PM5 study of N-(2-pyridyl)-aminomethyldiphoshonic acids and their complexes with alkali cations Fulltext Access 10 Pages 2005
Vibrational assignment and absolute integrated intensities of liquid bromobenzene-d5 between 4000 and 400 cmâ1 at 25 °C Fulltext Access 10 Pages 2005
Preparation, crystal structure and optical spectroscopy of the rare earth complexes (RE3+=Sm, Eu, Gd and Tb) with 2-thiopheneacetate anion Fulltext Access 10 Pages 2005
Molecular recognition of amino acids with some fluorescent ditopic pyrylium- and pyridinium-based crown ether receptors Fulltext Access 10 Pages 2005
Density functional theory assessment of the thermal degradation of diclofenac and its calcium and iron complexes Fulltext Access 10 Pages 2005
Hydrothermal synthesis, structural characterisation and magnetic behaviour of hybrid complexes of N-(phosphonomethyl)iminodiacetate Fulltext Access 10 Pages 2005
Different complexation behavior of a proton transfer compound obtained from 1,10-phenanthroline and pyridine-2,6-dicarboxylic acid with InIII and CeIII: Synthesis, crystal structures and solution studies Fulltext Access 10 Pages 2005
Synthesis, characterization and computational modeling of cyclen substituted with dendrimeric branches. Dendrimeric and macrocyclic moieties working together in a collective fashion Fulltext Access 10 Pages 2005
Simulation of the infrared radiation characteristics of high-temperature exhaust plume including particles using the backward Monte Carlo method Fulltext Access 10 Pages 2005
LIF intensity distribution as a deperturbation tool: application to the fully-mixed A1Σ+-b3Πcomplex of NaRb Fulltext Access 10 Pages 2005
Transformation of one of two CN groups of o-dicyanobenzene in the presence of cyanoguanidine. Crystal and gas-phase structure of 2-(2â²-cyanophenyl)-4,6-diamino-1,3,5-triazine Fulltext Access 10 Pages 2005
Relationship between the opacity and homogeneous and inhomogeneous escape probabilities Fulltext Access 10 Pages 2005
Evidence of reduced measurement uncertainties from an FTIR instrument intercomparison at Kiruna, Sweden Fulltext Access 10 Pages 2005
Reflection of light from particulate media with irregularly shaped particles Fulltext Access 10 Pages 2005
New experimental measurements and theoretical analysis of the collision-induced absorption in N2-H2 pairs Fulltext Access 10 Pages 2005
Temperature-dependent infrared absorption cross sections of methyl cyanide (acetonitrile) Fulltext Access 10 Pages 2005
Identification of enhanced absorption by 16O3 lines around 5μm in high-resolution FTIR solar spectra Fulltext Access 10 Pages 2005
Transport of optical excitations on dendrimers in the continuum approximation Fulltext Access 10 Pages 2005
Inert and stable erbium(III)-cored complexes based on metalloporphyrins bearing aryl-ether dendron for optical amplification: synthesis and emission enhancement Fulltext Access 10 Pages 2005
Spectroscopic characterizations of non-amphiphilic 2-(4-biphenylyl)-6-phenyl benzoxazole molecules at the air-water interface and in Langmuir-Blodgett films Fulltext Access 10 Pages 2005
Influences of matrices and concentrations on luminescent characteristics of Eu(TTA)3(H2O)2/polymer composites Fulltext Access 10 Pages 2005
Synthesis, characterization and spectroscopic study of Eu(III) complexes with 3-aminopicolinic acid derivatives Fulltext Access 10 Pages 2005
ESI MS, NMR and PM5 semiempirical studies of oligomycin A and its complexes with Li+ and Na+ cations Fulltext Access 10 Pages 2005
Correlation between electroluminescence and structural properties of Si nanoclusters Fulltext Access 10 Pages 2005
The density of electromagnetic modes in photonic crystals based on the pyrochlore and kagomé lattices Fulltext Access 10 Pages 2005
Study on the pyrolysis of wood-derived rayon fiber by thermogravimetry-mass spectrometry Fulltext Access 10 Pages 2005
Synchrotron micro-FT-IR spectroscopic evaluation of normal paediatric human bone Fulltext Access 10 Pages 2005
Spectral characteristics of 2-(2â²-hydroxy-3â²-pyridyl)benzimidazole: effects of solvents and acid or base concentrations Fulltext Access 10 Pages 2005
Microstructure elucidation of poly(9-ethyl-3-hydroxymethylcarbazolyl methacrylate) using two-dimensional NMR spectroscopy Fulltext Access 10 Pages 2005
Microwave spectrum, barriers to internal rotation, molecular structure, and theoretical calculation of (E)- and (Z)-acetaldehyde oxime, CH3CHNOH Fulltext Access 10 Pages 2005
Critical importance of the junction in touching Ag particles for single molecule sensitivity in SERS Fulltext Access 10 Pages 2005
Infrared external reflection absorption spectroscopic study on the structures of the Langmuir-Blodgett films of palmitoyl-l and dl-lysine on a Ge plate Fulltext Access 10 Pages 2005
1H and 13C chemical shift calculations for 12-oxa-pentacyclo[6.2.1.16,9.02,7.02,10]dodeca-4-eno systems using GIAO method at different levels of theory Fulltext Access 10 Pages 2005
Luminescent properties of ZnS:Mn2+ nanocrystals/SiO2 hybrid phosphor synthesized by in situ surface modification co-precipitation Fulltext Access 10 Pages 2005
Analysis of the vibrational spectra of trans-N,Nâ²-bis-salicylidene-1â²,2â²-cyclohexanediamine tautomers Fulltext Access 10 Pages 2005
Quantum and molecular mechanics calculations on modified silica nano ring Fulltext Access 10 Pages 2005
Smart membrane: preparation of molecular cavity and preferential sorption of small molecule Fulltext Access 10 Pages 2005
Heavy atom structure and conformer stabilities of cyclopropyl carbinol from rotational spectroscopy and ab initio calculations Fulltext Access 10 Pages 2005
Oxidative condensation reactions of (diethylenetriamine)cobalt(III) complexes with substituted bis(pyridin-2-yl)methane ligands Fulltext Access 10 Pages 2005
Self-assembly of copper(II) complexes with a dibasic tridentate ligand and monodentate N-heterocycles: structural, magnetic and EPR studies Fulltext Access 10 Pages 2005
DFT theoretical, synthesis, X-ray diffraction and IR studies on new dinuclear copper macrocyclic complexes Fulltext Access 10 Pages 2005
The isomers and conformers of some push-pull enamines studied by vibrational and NMR spectroscopy and by ab initio calculations Fulltext Access 10 Pages 2005
Solvent effect and quantum chemical calculations of the electron energy levels for nitro derivatives of 2-(N-methylamino)-picolines Fulltext Access 10 Pages 2005
NMR, FT-IR and ESI-MS study of new lasalocid ester with 2-(hydroxymethyl)-12-crown-4 and its complexes with monovalent cations Fulltext Access 10 Pages 2005
An ab initio study of the electronic spectrum of Zn2 including spin-orbit coupling Fulltext Access 10 Pages 2005
Even tempered basis sets for four-component relativistic quantum chemistry Fulltext Access 10 Pages 2005
Structural investigation of water-acetonitrile mixtures: An ab initio, molecular dynamics and X-ray diffraction study Fulltext Access 10 Pages 2005
Ultrafast photochemistry of cyclopentadiene: Competing hydrogen migration and electrocyclic ring closure Fulltext Access 10 Pages 2005
A DFT study on the deprotonation antioxidant mechanistic step of ortho-substituted phenolic cation radicals Fulltext Access 10 Pages 2005
Yield of photo-adduct formation of LOV domains from Chlamydomonas reinhardtii by picosecond laser excitation Fulltext Access 10 Pages 2005
DFT benchmark study for the oxidative addition of CH4 to Pd. Performance of various density functionals Fulltext Access 10 Pages 2005
Theoretical study of H3AXH3 and H3AYH2 (AÂ =Â B, Al, Ga; XÂ =Â N, P, As and YÂ =Â O, S, and Se), electrostatic and hyperconjugative interactions roles Fulltext Access 10 Pages 2005
Theoretical and experimental resonance Raman study of the fluorene radical cation Fulltext Access 10 Pages 2005
Multiple bonds to gold: a theoretical investigation of XAuC (XÂ =Â F, Cl, Br, I) molecules Fulltext Access 10 Pages 2005
Cationic surfactants/copoly(styrene oxide-ethylene oxide) systems: A physico-chemical investigation Fulltext Access 10 Pages 2005
Excitation energy transfer in a weakly coupled system: Studies with time-resolved fluorescence microscopy and laser induced transient grating techniques Fulltext Access 10 Pages 2005
Theoretical structure of the low lying electronic states of yttrium fluoride YF Fulltext Access 10 Pages 2005
A quasiclassical trajectory study for the N(4S)+O2(X3Σg-)âNO(X2Î )+O(3P) atmospheric reaction based on a new ground potential energy surface Fulltext Access 10 Pages 2005
Theoretical study of the interaction between cytosine and hydrogen peroxide Fulltext Access 10 Pages 2005
Nonextensive mean-field theory for ferroelectric nematic liquid crystal phases Fulltext Access 10 Pages 2005
Investigating the role of cationic vacancy on the MgO (0Â 0Â 1) defect surface: Embedded cluster models study Fulltext Access 10 Pages 2005
Diffusion of water in clays - microscopic simulation and neutron scattering Fulltext Access 10 Pages 2005
Two-photon excited fluorescence depolarisation experiments: II. The proper response function for analysing TCSPC data Fulltext Access 10 Pages 2005
Development of luminescent Sm(III) chelates containing hexadentate to nonadentate ligands: synthesis, photophysical properties and coupling to biomolecules Fulltext Access 10 Pages 2005
Single-crystalline films of Ce-doped YAG and LuAG phosphors: advantages over bulk crystals analogues Fulltext Access 10 Pages 2005
Density functional and coupled cluster calculations of dynamic hyperpolarizabilities and their geometry derivatives Fulltext Access 10 Pages 2005
Ï-electronic charge-transfer interactions in supramolecular complex formation between fullerenes and 5,10,15,20-tetrahexylporphyrin Fulltext Access 10 Pages 2005
Interpretation of vicinal spin-spin coupling constants in ethane via the current-density induced by nuclear magnetic dipoles Fulltext Access 10 Pages 2005
Beyond classical molecular dynamics: Simulation of quantum-dynamics effects at finite temperatures; the case of condensed molecular hydrogen Fulltext Access 10 Pages 2005
Intra- and intermolecular hydrogen bonding in formohydroxamic acid complexes with water and ammonia: infrared matrix isolation and theoretical study Fulltext Access 10 Pages 2005
Self-interaction error in density functional theory: a mean-field correction for molecules and large systems Fulltext Access 10 Pages 2005
Direct ab initio molecular dynamics study of the two photodissociation channels of formic acid Fulltext Access 10 Pages 2005
Classical treatments of quantum mechanical effects in collisions of weakly bound complexes Fulltext Access 10 Pages 2005
A multiproperty analysis of the OHÂ +Â H2(D2,HD) potential energy surface Fulltext Access 10 Pages 2005