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
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
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
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
Spectroscopic, thermal and electrochemical studies on some nickel(II) thiosemicarbazone complexes Fulltext Access 10 Pages 2005
Determination of the overlapping pKa values of resorcinol using UV-visible spectroscopy and DFT methods Fulltext Access 10 Pages 2005
New organotin(IV) ascorbates: synthesis, spectral characterization, biological and potentiometric studies Fulltext Access 10 Pages 2005
The IR reflectance spectra of the ν3(SO42â) and ν4(SO42â) band regions of some Tutton salts using polarized radiation: testing the model dielectric function Fulltext Access 10 Pages 2005
1H, 13C NMR and X-ray crystallographic studies of highly polyhalogenated derivatives of costunolide lactone Fulltext Access 10 Pages 2005
Fluorescence rejection in Raman spectra of Syncrude Sweet Blend distillation fractions Fulltext Access 10 Pages 2005
Density functional theory study of the Fourier transform infrared and Raman spectra of Cu(II) bis-acetylacetone Fulltext Access 10 Pages 2005
Spectroscopic characterization of effective components anthraquinones in Chinese medicinal herbs binding with serum albumins Fulltext Access 10 Pages 2005
Ab initio and DFT studies on vibrational spectra of some halides of group IIIB elements Fulltext Access 10 Pages 2005
Spectroscopy, NMR and DFT studies on molecular recognition of crown ether bridged chiral heterotrinuclear salen Zn(II) complex Fulltext Access 10 Pages 2005
Matrix-isolation FT-IR spectroscopic study and theoretical DFT(B3LYP)/6-31Â ++Â G** calculations of the vibrational and conformational properties of tyrosine Fulltext Access 10 Pages 2005
The role of hydrogen bonding in the selectivity of l-cysteine methyl ester (CYSM) and l-cysteine ethyl ester (CYSE) for chloride ion Fulltext Access 10 Pages 2005
Electronic, cyclic voltammetry, IR and EPR spectral studies of copper(II) complexes with 12-membered N4, N2O2 and N2S2 donor macrocyclic ligands Fulltext Access 10 Pages 2005
Ab initio and DFT studies on vibrational spectra of some mixed carbonyl-halide complexes of ruthenium(II) Fulltext Access 10 Pages 2005
Melting behavior of poly(3-hydroxybutyrate) investigated by two-dimensional infrared correlation spectroscopy Fulltext Access 10 Pages 2005
Mixed ligand complexes of bis(phenylimine) Schiff base ligands incorporating pyridinium moiety 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
Determination of line strengths for selected transitions in the v2 band relative to the v1 and v5 bands of H2CO 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
ESI MS, NMR and PM5 semiempirical studies of oligomycin A and its complexes with Li+ and Na+ cations 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
NMR spectroscopy in inhomogeneous B0 and B1 fields with non-linear correlation Fulltext Access 10 Pages 2005
Magnetic resonance in systems with equivalent spin-1/2 nuclides. Part 1 Fulltext Access 10 Pages 2005
On-resonance low B1 pulses for imaging of the effects of PARACEST agents Fulltext Access 10 Pages 2005
High frequency single-mode resonators for EPR spectroscopy enabling rotations of the sample about two orthogonal axes Fulltext Access 10 Pages 2005
Structural anisotropy and internal magnetic fields in trabecular bone: Coupling solution and solid dipolar interactions Fulltext Access 10 Pages 2005
Cumulative “roof effect” in high-resolution in vivo 31P NMR spectra of human calf muscle and the Clebsch-Gordan coefficients of ATP at 1.5Â T Fulltext Access 10 Pages 2005
Optimal control of coupled spin dynamics: design of NMR pulse sequences by gradient ascent algorithms Fulltext Access 10 Pages 2005
Backbone-only restraints for fast determination of the protein fold: The role of paramagnetism-based restraints. Cytochrome b562 as an example Fulltext Access 10 Pages 2005
Detection of intracellular lactate with localized diffusion {1H-13C}-spectroscopy in rat glioma in vivo Fulltext Access 10 Pages 2005
Electron detachment spectroscopic study on carbon and silicon cluster anions Fulltext Access 10 Pages 2005
Characterization of advanced gate stacks for Si CMOS by electron energy-loss spectroscopy in scanning transmission electron microscopy Fulltext Access 10 Pages 2005
Angle resolved imaging of polymer blend systems: From images to a 3D volume of material morphology 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
Two-photon excited fluorescence depolarisation experiments: II. The proper response function for analysing TCSPC data Fulltext Access 10 Pages 2005
A sensitivity study on spectroscopic parameter accuracies for a mm/sub-mm limb sounder instrument Fulltext Access 10 Pages 2005
Relativistic energies and transition probabilities for some highly excited levels in singly ionized indium Fulltext Access 10 Pages 2005
Sizing of spheroidal and cylindrical particles in a binary mixture by measurement of scattered light intensity: application of neural networks Fulltext Access 10 Pages 2005
Numerical study of heat transfer in an optically thick semi-transparent spherical porous medium Fulltext Access 10 Pages 2005
Sulphur hexafluoride (SF6): comparison of FTIR-measurements at three sites and determination of its trend in the northern hemisphere Fulltext Access 10 Pages 2005
The mean probability of photon capture of resonance radiation in atomic absorption spectroscopy Fulltext Access 10 Pages 2005
Periodic ab initio calculation of nuclear quadrupole parameters as an assignment tool in solid-state NMR spectroscopy: applications to 23Na NMR spectra of crystalline materials Fulltext Access 10 Pages 2005
Silver ion dynamics in silver borate glasses: spectra and multiple-time correlation functions from 109Ag-NMR Fulltext Access 10 Pages 2005
Structure/transport relationships in silver-based oxide glasses: 1-D and 2-D NMR information Fulltext Access 10 Pages 2005
Multiple-magnetic field 139La NMR and density functional theory investigation of the solid lanthanum(III) halides Fulltext Access 10 Pages 2005
A study of the headgroup motion of sphingomyelin using 31P NMR and an analytically soluble model Fulltext Access 10 Pages 2005
Applying in vitro NMR spectroscopy and 1H NMR metabonomics to breast cancer characterization and detection Fulltext Access 10 Pages 2005
Lineshape parameters for water vapor in the 3.2-17.76 μm region for atmospheric applications Fulltext Access 10 Pages 2005
Rotational spectroscopy of the first excited state of the acetylenic C-H stretch of 3-fluoropropyne performed by infrared-Fourier transform microwave-microwave triple-resonance spectroscopy Fulltext Access 10 Pages 2005
Fourier transform emission spectroscopy of the TiF radical in the 407Â nm region Fulltext Access 10 Pages 2005
Line parameters of HDO from high-resolution Fourier transform spectroscopy in the 11Â 500-23Â 000Â cmâ1 spectral region Fulltext Access 10 Pages 2005
The isotopic dependence of axes switching in thiophosgene induced by AË1A2(nÏâ)âXË1A1 electronic excitation Fulltext Access 10 Pages 2005
Accurate rotational spectroscopy of sulfur dioxide, SO2, in its ground vibrational and first excited bending states, v2Â =Â 0, 1, up to 2Â THz Fulltext Access 10 Pages 2005
Effects of the spectral inhomogeneity on the optical properties in the four-wave mixing signal Fulltext Access 10 Pages 2005
Laser spectroscopy of the A[16.4]8.5-X7.5, A[16.4]8.5-Y[0.15]8.5, and A[16.4]8.5-Z[0.85]7.5 transitions of dysprosium monochloride Fulltext Access 10 Pages 2005
High resolution study of the six lowest doubly excited vibrational states of PH2D Fulltext Access 10 Pages 2005
The Lamb-dip spectrum of the J + 1 â J (J = 0, 1, 3-8) transitions of H13CN: The nuclear hyperfine structure due to H, 13C, and 14N Fulltext Access 10 Pages 2005
SIMQUADNMR: a program for simulation and interpretation of multiple quantum-filtered NMR spectra of quadrupolar nuclei Fulltext Access 10 Pages 2005