An ab initio model for handling the Renner-Teller effect in tetra-atomic molecules. I. Introduction of coordinates and the Hamiltonian Fulltext Access 13 Pages 2006
Mechanical properties and the evolution of matrix molecules in PTFE upon irradiation with MeV alpha particles Fulltext Access 13 Pages 2006
On the calculations of the nuclear shielding constants in small water clusters Fulltext Access 13 Pages 2006
TG-FTIR, DSC and quantum chemical studies of the thermal decomposition of quaternary methylammonium halides Fulltext Access 13 Pages 2006
Theoretical and experimental studies on the molecular and electronic structures of cytisine and unsaturated keto-sparteines Fulltext Access 13 Pages 2006
Theoretical studies on dynamics and thermochemistry of the reactions CHClFCHO, CHF2CHO and CClF2CHO with the Cl atom Fulltext Access 13 Pages 2006
Spin-orbit coupling in the double exchange model 1. Antisymmetric double exchange in a valence-delocalized [Fe2.5+Fe2.5+] cluster Fulltext Access 13 Pages 2006
Quantum dynamical simulation of ultrafast molecular processes in the condensed phase Fulltext Access 13 Pages 2006
The influence of nonbilinear system-bath coupling on quantum-mechanical activated rate processes Fulltext Access 13 Pages 2006
F/Cl + C2H2 reactions: Are the addition and hydrogen abstraction direct processes? Fulltext Access 13 Pages 2006
Quantum chemistry based inversion of experimental pump-probe spectra: Model simulations for CpMn(CO)3 Fulltext Access 13 Pages 2006
FT-IR and FT-Raman spectroscopies and DFT modelling of benzimidazolium salts Fulltext Access 13 Pages 2006
Determination of potential energy functions of CO-CO, CO2-CO2, and N2O-N2O and calculation of their transport properties Fulltext Access 13 Pages 2006
Photoelectron binding energy shifts observed during oxidation of group IIA, IIIA and IVA elemental surfaces Fulltext Access 13 Pages 2006
Near molecular-scale growth of natural minerals: Experimental methods and errors in length-dependent step speeds with scanning probe microscopy Fulltext Access 13 Pages 2006
Applications of high energy ion beam techniques in environmental science: Investigation associated with glass and ceramic waste forms Fulltext Access 13 Pages 2006
Infrared vibrational spectra of tert-butyl halides in low-aluminum H-Y Faujasite: Vibrational excitation exchange and other effects of guest-host interactions Fulltext Access 13 Pages 2006
Computational study of neutral and cationic pericondensed polycyclic aromatic hydrocarbons Fulltext Access 14 Pages 2006
On the calculations of the nuclear spin-spin coupling constants in small water clusters Fulltext Access 14 Pages 2006
Effects of electric and magnetic fields on fluorescence in electron donor and acceptor pairs of pyrene and N-methylphthalimide doped in a polymer film Fulltext Access 14 Pages 2006
Suppress polystyrene thin film dewetting by modifying substrate surface with aminopropyltriethoxysilane Fulltext Access 14 Pages 2006
Growth and decay of the Pd(1 1 1)-Pd5O4 surface oxide: Pressure-dependent kinetics and structural aspects Fulltext Access 14 Pages 2006
The dense α-â3 à â3Pb/Si(1 1 1) phase: A comprehensive STM and SPA-LEED study of ordering, phase transitions and interactions Fulltext Access 14 Pages 2006
The dissipation of vibrational quanta in exoergic surface processes and its impact on reaction rates: A case study Fulltext Access 14 Pages 2006
A theoretical investigation on Pt3Sn(1 0 2) surface alloy and CO-Pt3Sn(1 0 2) system Fulltext Access 14 Pages 2006
Fabrication of model Pt-ceria catalysts and an analysis of their performance for CO oxidation Fulltext Access 14 Pages 2006
Absorption in regio-regular poly(3-hexyl)thiophene thin films: Fermi resonances, interband coupling and disorder Fulltext Access 14 Pages 2006
Comparative study on the transition metal complexes of a novel thiacalix[4]arene derivative Fulltext Access 14 Pages 2006
Resonance Raman spectroscopy and DFT calculations of the protonation of 4-(2-pyridylazo)-N,N-dimethylaniline in solution and adsorbed on oxide surfaces Fulltext Access 14 Pages 2006
Comprehensive DFT and MO studies on glyoxilic acid oxime and related ions in gas phase and solution: Conformations, basicities and acidities Fulltext Access 14 Pages 2006
Infrared induced isomerizations of water polymers trapped in nitrogen matrix Fulltext Access 14 Pages 2006
Structural and vibrational characterization of the organic semiconductor tetracene as a function of pressure and temperature Fulltext Access 14 Pages 2006
The transport gap of organic semiconductors studied using the combination of direct and inverse photoemission Fulltext Access 14 Pages 2006
Chemical approach to neutral-ionic valence instability, quantum phase transition, and relaxor ferroelectricity in organic charge-transfer complexes Fulltext Access 14 Pages 2006
Nuclear magnetic resonance diffusion with surface relaxation in porous media Fulltext Access 14 Pages 2006
Viscosity and yield stress reduction in non-colloidal concentrated suspensions by surface modification with polymers and surfactants and/or nanoparticle addition Fulltext Access 14 Pages 2006
Thermocapillary flow in double-layer fluid structures: An effective single-layer model Fulltext Access 14 Pages 2006
Temperature and concentration effects on electrolyte transport across porous thin-film composite nanofiltration membranes: Pore transport mechanisms and energetics of permeation Fulltext Access 14 Pages 2006
Surface speciation of As(III) and As(V) in relation to charge distribution Fulltext Access 14 Pages 2006
Improved solubilization of Celecoxib in U-type nonionic microemulsions and their structural transitions with progressive aqueous dilution Fulltext Access 14 Pages 2006
Adsorption-induced conformational changes of proteins onto ceramic particles: Differential scanning calorimetry and FTIR analysis Fulltext Access 14 Pages 2006
Electrophoretic motion of a spherical particle in a converging–diverging nanotube Fulltext Access 14 Pages 2006
Guard rings: Structures, design methodology, integration, experimental results, and analysis for RF CMOS and RF mixed signal BiCMOS silicon germanium technology Fulltext Access 14 Pages 2006
Interfacial interactions and colloid retention under steady flows in a capillary channel Fulltext Access 14 Pages 2006
Mode of interaction of two fluorinated-hydrogenated hybrid amphiphiles with dipalmitoylphosphatidylcholine (DPPC) at the air–water interface Fulltext Access 14 Pages 2006
Application of a generalized thermodynamic approach to characterize mesoporous materials Fulltext Access 14 Pages 2006
Particle-stabilized emulsions: Effect of heavy crude oil components pre-adsorbed onto stabilizing solids Fulltext Access 14 Pages 2006
Surface energetics of cementitious materials and their wettability by an epoxy adhesive Fulltext Access 14 Pages 2006
Effects of an electric field on the surface tension of conducting drops Fulltext Access 14 Pages 2006
Beneficial role of surfactants in electrochemistry and in the modification of electrodes Fulltext Access 14 Pages 2006
Polarization model for poorly-organized interfacial water: Hydration forces between silica surfaces Fulltext Access 14 Pages 2006
The influence of catalytic activity on the phase transition governed binary switch point of MISiC-FET lambda sensors Fulltext Access 14 Pages 2006
Calculation and selective population of vibrational levels with the Multiconfiguration Time-Dependent Hartree (MCTDH) algorithm Fulltext Access 14 Pages 2006
Multistate and multimode vibronic dynamics: The Jahn-Teller and pseudo-Jahn-Teller effects in the ethane radical cation Fulltext Access 14 Pages 2006
A systematic study of polarized IR spectra of the hydrogen bond in formic acid crystals Fulltext Access 14 Pages 2006
Bound and low-lying quasi-bound rotation-vibration levels of the ground electronic state of LiH2+ Fulltext Access 14 Pages 2006
On the growth strain origin and stress evolution prediction during oxidation of metals Fulltext Access 14 Pages 2006
Scanning probe microscopy studies of PbS surfaces oxidized in air and etched in aqueous acid solutions Fulltext Access 14 Pages 2006
Surface analysis of inhibitor films formed by imidazolines and amides on mild steel in an acidic environment Fulltext Access 14 Pages 2006
The high throughput investigation of polyphenolic couplers in biodegradable packaging materials Fulltext Access 14 Pages 2006
Chromium localization in plant tissues of Lycopersicum esculentum Mill using ICP-MS and ion microscopy (SIMS) Fulltext Access 14 Pages 2006
On the non-adiabatic dynamics of solvation: A molecular hydrodynamic formulation Fulltext Access 14 Pages 2006
Tribological behaviours of patterned PVD TiN spot coatings on M2 steel coated with different bias voltages Fulltext Access 14 Pages 2006
Wear characteristics and performance of multi-layer CVD-coated alloyed carbide tool in dry end milling of titanium alloy Fulltext Access 14 Pages 2006
Tribological contact analysis of a rigid ball sliding on a hard coated surface: Part II: Material deformations, influence of coating thickness and Young's modulus Fulltext Access 14 Pages 2006
Preparation of LaMnO3 perovskite thin films by suspension plasma spraying for SOFC cathodes Fulltext Access 14 Pages 2006
Microstructures and key properties of cold-sprayed and thermally sprayed copper coatings Fulltext Access 14 Pages 2006
Binary mixtures of self-assembled monolayers of 1,8-octanedithiol and 1-octanethiol for a controlled growth of gold nanoparticles Fulltext Access 14 Pages 2006
The synthesis and properties of iridium cored dendrimers with carbazole dendrons Fulltext Access 14 Pages 2006