Theoretical study of the stereodynamics of the reaction Cl + C3H8 â C3H7 + HCl Fulltext Access 8 Pages 2005
Assessment of the relations between the spectroscopic characteristics of soils and their ability to adsorb organic pollutants Fulltext Access 8 Pages 2005
Atmospheric deposition of polycyclic aromatic hydrocarbons on the Lake Balaton, Hungary Fulltext Access 8 Pages 2005
Characterisation of organic residues in pottery vessels of the Roman age from Antinoe (Egypt) Fulltext Access 8 Pages 2005
Optimized cleanup methods of organic extracts for the determination of organic pollutants in biological samples Fulltext Access 8 Pages 2005
Ab initio calculations and mechanism of two proton migration reactions of ethoxy radical Fulltext Access 8 Pages 2005
Interaction of -CClx (x=1-3) with Ru2 and RuSn dimers: a density functional study Fulltext Access 8 Pages 2005
Symmetry contaminations in reactive scattering through long-lived collision complexes Fulltext Access 8 Pages 2005
Ab initio potential energy surface for HeF2 in its ground electronic state Fulltext Access 8 Pages 2005
Curvature contributions to the static electrical properties of push-pull molecules Fulltext Access 8 Pages 2005
A novel multiphysic model for simulation of swelling equilibrium of ionized thermal-stimulus responsive hydrogels Fulltext Access 8 Pages 2005
Magnetic properties of d1-d1-d2 MV trimers with partial electron delocalization in the generalized vibronic model Fulltext Access 8 Pages 2005
Computational studies on the thermal decomposition and isomerization of CHBr2O radical Fulltext Access 8 Pages 2005
Blue-shifted hydrogen-bonded complexes. II. CH3Fâ¯(HF)1 ⩽ n ⩽ 3 and CH2F2â¯(HF)1 ⩽ n ⩽ 3 Fulltext Access 8 Pages 2005
Dehydration energies of alkaline earth metal halides - a novel simulation methodology Fulltext Access 8 Pages 2005
Analysis of the interactions between human serum albumin/amphiphilic penicillin in different aqueous media: an isothermal titration calorimetry and dynamic light scattering study Fulltext Access 8 Pages 2005
Cluster-assistant generation of multiply charged atomic ions in nanosecond laser ionization of seeded methyl iodide beam Fulltext Access 8 Pages 2005
The molecular structure of ScI3 and Sc2I6 determined by gas-phase electron diffraction and theoretical studies Fulltext Access 8 Pages 2005
A composite amperometric tyrosinase biosensor for the determination of the additive propyl gallate in foodstuffs Fulltext Access 8 Pages 2005
Subcellular and molecular localization of rare earth elements and structural characterization of yttrium bound chlorophyll a in naturally grown fern Dicranopteris dichotoma Fulltext Access 8 Pages 2005
Uptake of weathered p,pâ²-DDE by plant species effective at accumulating soil elements Fulltext Access 8 Pages 2005
Slurry-based procedures to determine chromium, nickel and vanadium in complex matrices by ETAAS Fulltext Access 8 Pages 2005
Determination of moxifloxacin in tablets and human urine by square-wave adsorptive voltammetry Fulltext Access 8 Pages 2005
Inductively coupled plasma-mass (ICP-MS) and atomic emission spectrometry (ICP-AES): Versatile analytical techniques to identify the archived elemental information in human teeth Fulltext Access 8 Pages 2005
Cationic cobaltammines as anion receptors: Synthesis and characterization of [Co(NH3)6](4-np)3.4H2O, [Co(NH3)6](2,4-dnp)3 and [Co(NH3)6](2,4,6-tnp)3 (where np=nitrophenolate, dnp=dinitrophenolate, tnp, trinitrophenolate), single crystal X-ray structure an Fulltext Access 8 Pages 2005
Potassium beryllium selenate dihydrate, K2Be(SeO4)2·2H2O: Preparation, structure and infrared spectroscopy Fulltext Access 8 Pages 2005
Infrared and Raman spectra of magnesium ammonium phosphate hexahydrate (struvite) and its isomorphous analogues. III. Spectra of protiated and partially deuterated magnesium ammonium phosphate hexahydrate Fulltext Access 8 Pages 2005
Second-sphere coordination complexes via hydrogen bonding: Synthesis, spectroscopic characterization, crystal structures and packing of cis-diazidobis(ethylenediamine)cobalt(III) cations with complex fluoroanions Fulltext Access 8 Pages 2005
Synthesis and characterization of phenoxyphosphazenes. Structure of 2,2-[2,2â²-metheylenebis(4-chlorophenoxy)]-4,4,6,6-tetrachlorocyclo-2λ5,4λ5,6λ5-triphosphazatriene (spiro) Fulltext Access 8 Pages 2005
NMR and theoretical study of the (CO)-N rotational barrier in the isomers cis- and trans- 2-N,N-dimethylaminecyclohexyl 1-Nâ²,Nâ²-dimethylcarbamate Fulltext Access 8 Pages 2005
FTIR, TGA and DC electrical conductivity studies of phthalocyanine and its complexes Fulltext Access 8 Pages 2005
Phosphorus-nitrogen compounds: New spiro-cyclic phosphazene derivatives. Structure of 4â²,4â²,6â²,6â²-tetrachloro-3,4-dihydro-3-(3-methylpyridin-2-yl)spiro-[1,3,2-benzoxazaphosphinine-2,2â²-(2λ5,4λ5,6λ5-cyclotriphosphazene)]. Part XII Fulltext Access 8 Pages 2005
Structure in solid state of 3,3â²-diindolylmethane derivatives, potent cytotoxic agents against human tumor cells, followed X-ray diffraction and 13C CP/MAS NMR analyses Fulltext Access 8 Pages 2005
Synthesis, spectral and structural characterization of zinc(II) methacrylate complexes with sparteine and α-isosparteine: The role of hydrogen bonds and dipolar interactions in stabilizing the molecular structure Fulltext Access 8 Pages 2005
On the structure and spectroscopic properties of two 13-hydroxylupanine epimers Fulltext Access 8 Pages 2005
A study on the binding of two water-soluble tetrapyridinoporphyrazinato copper(II) complexes to DNA Fulltext Access 8 Pages 2005
1H, 13C NMR spectral and single crystal structural studies of toxaphene congeners. Quantum chemical calculations for preferred conformers of 2,5-endo,6-exo,8,9,9,10,10-octachloro-2-bornene and their DFT/GIAO 13C chemical shifts Fulltext Access 8 Pages 2005
Synthesis, structural and solvent influence studies on solvatochromic of acetylacetonatocopper(II) with N,Nâ²-dibenzylic or thiophene derivatives of ethylenediamine complexes Fulltext Access 8 Pages 2005
Hydration and temperature dependent dynamics of lysozyme in glucose-water matrices. A neutron scattering study Fulltext Access 8 Pages 2005
Structure and dynamics of solvated Ba(II) in dilute aqueous solution - an ab initio QM/MM MD approach Fulltext Access 8 Pages 2005
Renormalization group theory for fluids including critical region. II. Binary mixtures Fulltext Access 8 Pages 2005
High-frequency interaction-induced rototranslational wings of anisotropic nitrogen spectra Fulltext Access 8 Pages 2005
On the use of empirically corrected theoretical procedures in preparative chemistry: Synthesis, spectroscopic and theoretical studies on 1,3-bis(trimethylsilyl)benzimidazol-2-one Fulltext Access 8 Pages 2005
Third-order transport properties of ion-swarms from mobility and diffusion coefficients Fulltext Access 8 Pages 2005
Transition state structure, energetics, and rate constants for the CH4 + F(2P) â CH3 + HF reaction Fulltext Access 8 Pages 2005
Forces due to changes of electronic density: A complementary view of the Jahn-Teller effect Fulltext Access 8 Pages 2005
Theoretical studies on the interaction of the CrO42-andSO42- anions with biologically relevant ligands: NO+, NO, O2+, OH, imidazole and methylimidazoles Fulltext Access 8 Pages 2005
A charge-charge flux-dipole flux decomposition of the dipole moment derivatives and infrared intensities of the AB3 (AÂ =Â N, P; BÂ =Â H, F) molecules Fulltext Access 8 Pages 2005
Inhomogeneous electrochemiluminescence. II Markovian encounter theory of the phenomenon Fulltext Access 8 Pages 2005
Electromodulation of fluorescence in hole-transporting materials for organic light-emitting diodes. Part II: Starburst amines Fulltext Access 8 Pages 2005
The conformational potential energy surface of IOONO and the isomerization and decomposition processes Fulltext Access 8 Pages 2005
Dynamical heterogeneity in glass-forming toluene: Comparison of bulk and confined conditions by quasielastic neutron scattering and molecular dynamics simulations Fulltext Access 8 Pages 2005
Channel-facilitated membrane transport: Constructive role of particle attraction to the channel pore Fulltext Access 8 Pages 2005
A unified picture of energy and electron transfer in primary photosynthesis Fulltext Access 8 Pages 2005
Electrical resistivity of monolayers and bilayers of alkanethiols in tunnel junction with gate electrode Fulltext Access 8 Pages 2005
Electrocatalytic activation of Ni for H2 evolution by spontaneous deposition of Ru Fulltext Access 8 Pages 2005
Electronic structure of S-C6H5 self-assembled monolayers on Cu(1Â 1Â 1) and Au(1Â 1Â 1) substrates Fulltext Access 8 Pages 2005
Comparison of dynamical aspects of nonadiabatic electron, proton, and proton-coupled electron transfer reactions Fulltext Access 8 Pages 2005
Three-coupled-oscillator model for nonlinear optical response of chiral molecules with tripod-like structure Fulltext Access 8 Pages 2005
Theoretical study of deuterium kinetic isotope effect in peroxidation of phenol and toluene Fulltext Access 8 Pages 2005
Can gallium dimer react effectively with three H2 molecules to form digallane? Fulltext Access 8 Pages 2005
Accurate static electric dipole polarizability calculations of +3 charged lanthanide ions Fulltext Access 8 Pages 2005
Large-scale electron correlation calculations in the framework of the spin-free dirac formalism: the Au2 molecule revisited Fulltext Access 8 Pages 2005
Sixth-order Douglas-Kroll: two-component reference data for one-electron ions from 1s12 through 4f72 Fulltext Access 8 Pages 2005
Steering wave packet dynamics and population transfer between electronic states of the Na2 molecule by femtosecond laser pulses Fulltext Access 8 Pages 2005
The cooperative nature of hydrophobic forces and protein folding kinetics Fulltext Access 8 Pages 2005
Theoretical investigation of hydrogen transfer mechanism in the adenine-thymine base pair Fulltext Access 8 Pages 2005
Emission properties of single CdSe/ZnS quantum dots close to a dielectric interface Fulltext Access 8 Pages 2005
A systematic study of global analysis of diffusion-mediated fluorescence quenching data Fulltext Access 8 Pages 2005
Electroabsorption (Stark effect) spectroscopy of monomeric purine and pyrimidine bases Fulltext Access 8 Pages 2005
Energetics and structure of the bound states in a lithium complex: The (LiH2)+ electronic ground state Fulltext Access 8 Pages 2005
Photofragmentation of C, F and S K-shell excited CF3SF5 studied by PEPICO and PIPICO spectroscopy Fulltext Access 8 Pages 2005
A theoretical study of the role of the hydrogen bond on core ionization of the water dimer Fulltext Access 8 Pages 2005
Photophysical characterisation of some dipyrromethene dyes in ethyl acetate and covalently bound to poly(methyl methacrylate) Fulltext Access 8 Pages 2005