X-ray diffraction, inelastic neutron scattering (INS) and infrared (IR) studies on 2:1 hexamethylbenzene (HMB)-tetracyanoethylene (TCNE) complex Fulltext Access 8 Pages 2006
On the implementation of the Runge-Kutta-Fehlberg algorithm to integrate intrinsic reaction coordinate paths Fulltext Access 8 Pages 2006
Unimolecular decomposition of aromatic bicyclic alkoxy radicals and their acyclic radicals Fulltext Access 8 Pages 2006
Studies of the dynamics around the O-O bond: Orthogonal local modes of hydrogen peroxide Fulltext Access 8 Pages 2006
Anharmonic contribution to the static vibrational second hyperpolarizability of linear quadrupolar molecules within the framework VB-2CT and AEEP Fulltext Access 8 Pages 2006
A theoretical study of uranyl solvation: Explicit modelling of the second hydration sphere by quantum mechanical methods Fulltext Access 8 Pages 2006
Sputtered gas-phase dianions detected by high-sensitivity mass spectrometry Fulltext Access 8 Pages 2006
Electrochemical behavior of adrenaline at the carbon atom wire modified electrode Fulltext Access 8 Pages 2006
The 12B1, 12B2, 12A1, 12A2, 32Aâ²(22B2), and 22A1 states of the 1,1-difluoromethane ion studied using multiconfiguration second-order perturbation theory Fulltext Access 8 Pages 2006
Absorption spectra of small silver clusters Agn (n = 4, 6, 8): A TDDFT study Fulltext Access 8 Pages 2006
The 30u+(43P1)andX0g+-state potentials of Zn2 obtained from excitation spectrum recorded at the 30u+âX10g+ transition Fulltext Access 8 Pages 2006
The role of nano-contacts in electrical transport through a molecular wire Fulltext Access 8 Pages 2006
Adsorption of dimethyl sulfide and methanethiolate on Ag and Au surfaces: Surface-enhanced Raman scattering and density functional theory calculation study Fulltext Access 8 Pages 2006
Faster approximate force calculations via quasi-spin density exchange-correlation functionals Fulltext Access 8 Pages 2006
A TD-DFT study on the electronic spectrum of Ru(II)L2 [LÂ =Â bis(5â²-methyl-2,2â²-bipyridine-6-carboxylato)] in the gas phase and DMF solution Fulltext Access 8 Pages 2006
The aniline-water and aniline-methanol complexes in the S1 excited state Fulltext Access 8 Pages 2006
Radiative lifetimes of the A2Π, B2Σ+, C2Πand D2Σ+ states of the CaBr and CaI radicals Fulltext Access 8 Pages 2006
Broken symmetry approach and density functional theory calculations for heterospin system consisting of copper(II) and aminoxyl radicals Fulltext Access 8 Pages 2006
A temperature accelerated method for sampling free energy and determining reaction pathways in rare events simulations Fulltext Access 8 Pages 2006
Coulomb correlation energy versus covalence in transition-metal compounds Fulltext Access 8 Pages 2006
Electron spin echo envelope modulation spectroscopy with g-value and orientation filters Fulltext Access 8 Pages 2006
Oxidation of methionine methyl ester in aqueous solution: A combined pulse radiolysis and quantum chemical study Fulltext Access 8 Pages 2006
Theoretical studies on tunneling ionizations of ethylene and benzene in high-power lasers Fulltext Access 8 Pages 2006
Long-range electron and charge transfers in peptide bridging phthalimide and methyl aminoacetate radical systems: Super-exchange and hopping mechanisms Fulltext Access 8 Pages 2006
Formation and identification of pure intermolecular zero-quantum coherence signal in liquid NMR Fulltext Access 8 Pages 2006
Ab initio surface hopping simulation on dissociative recombination of H3O+ Fulltext Access 8 Pages 2006
Single-reference, size-extensive, non-iterative coupled-cluster approaches to bond breaking and biradicals Fulltext Access 8 Pages 2006
A highly correlated ab initio investigation of the temperature-dependent conformational analysis of cycloheptane Fulltext Access 8 Pages 2006
First principles study of structural, electronic and optical properties of KCl crystal Fulltext Access 8 Pages 2006
Semiclassical IVR approach to rotational excitation of non-polar diatomic molecules by non-resonant laser pulses Fulltext Access 8 Pages 2006
Terahertz vibration-rotation-tunneling (VRT) spectroscopy of the d6-water trimer: Complete characterization of the 2.94 THz torsional band (kn = ±21 â 00) Fulltext Access 8 Pages 2006
Electronic and infrared spectroscopy of chiral (±)-cis-1-amino-indan-2-ol in a supersonic jet Fulltext Access 8 Pages 2006
Revisiting the free energy profile for the nucleophilic attack of hydroxide on formamide in aqueous solution Fulltext Access 8 Pages 2006
Negative capacitance caused by electron injection through interfacial states in organic light-emitting diodes Fulltext Access 8 Pages 2006
Dynamics of dissociation of propynoic acid from both ground and excited electronic states at 193Â nm Fulltext Access 8 Pages 2006
Synthesis and characterization of long strands of nitrogen-doped single-walled carbon nanotubes Fulltext Access 8 Pages 2006
Growing fullerenes from seed: Growth transformations of fullerene polyhedra Fulltext Access 8 Pages 2006
Theoretical study of the global potential energy surface of the [CH3,N,C,S] system in singlet and triplet states Fulltext Access 8 Pages 2006
Spectroscopic and theoretical investigations on effective and selective complexation between porphyrins and fullerenes Fulltext Access 8 Pages 2006
XRD, XPS and AFM studies of the unknown phase formed on the surface during electrodeposition of Ni-W alloy Fulltext Access 8 Pages 2006
Effect of surface roughness on the development of protective Al2O3 on Fe-10Al (at.%) alloys containing 0-10 at.% Cr Fulltext Access 8 Pages 2006
The inhibition of corrosion of mild steel in 0.5 M sulfuric acid solution in the presence of benzyl triphenyl phosphonium bromide Fulltext Access 8 Pages 2006
Direct chemical assembly of quaternary ammonium groups on a surface of highly dispersed silica Fulltext Access 8 Pages 2006
Electrochemical behavior and microstructural characterization of 1026 Ni-B coated steel Fulltext Access 8 Pages 2006
Highly concentrated toluene decomposition on the dielectric barrier discharge (DBD) plasma-photocatalytic hybrid system with Mn-Ti-incorporated mesoporous silicate photocatalyst (Mn-Ti-MPS) Fulltext Access 8 Pages 2006
The effect of pH and role of Ni2+ in zinc phosphating of 2024-Al alloy: Part II: Microscopic studies with SEM and SAM Fulltext Access 8 Pages 2006
Study on the deterioration process of a chromium-free conversion coating on AZ91D magnesium alloy in NaCl solution Fulltext Access 8 Pages 2006
Laser-induced site-selective silver seeding on polyimide for electroless copper plating Fulltext Access 8 Pages 2006
Structural and electrical properties of fluorine doped tin oxide films prepared by spray-pyrolysis technique Fulltext Access 8 Pages 2006
AFM lateral force imagining of modified polychloroprene: A study based on roughness analysis Fulltext Access 8 Pages 2006
Capacitance dispersion in electrochemical impedance spectroscopy measurements of iodide adsorption on Au(1 1 1) Fulltext Access 8 Pages 2006
2-Mercapto-1-methylimidazole as corrosion inhibitor for copper in hydrochloric acid Fulltext Access 8 Pages 2006
Hydrocarbons imbibition for geometrical characterization of porous media through the effective radius approach Fulltext Access 8 Pages 2006
Influence of surface energy and relative humidity on AFM nanomechanical contact stiffness Fulltext Access 8 Pages 2006
Laser synthesis of palladium-alumina composite membranes for production of high purity hydrogen from gasification Fulltext Access 8 Pages 2006
Nanosecond pulse laser melting investigation by IR radiometry and reflection-based methods Fulltext Access 8 Pages 2006
Surface nano-structural modifications and characteristics in nitrogen ion implanted W as a function of temperature and N+ energy Fulltext Access 8 Pages 2006
Effect of focus position on informational properties of acoustic emission generated by laser-material interactions Fulltext Access 8 Pages 2006
Phase transformation of Ni-B, Ni-P diffusion barrier deposited electrolessly on Cu interconnect Fulltext Access 8 Pages 2006
Segregation of silicone acrylate from acrylate mixture at resin-mold interface and its effect on UV embossing Fulltext Access 8 Pages 2006
Synthesis of immunomagnetic nanoparticles and their application in the separation and purification of CD34+ hematopoietic stem cells Fulltext Access 8 Pages 2006
Establishment of equivalent circuits from electrochemical impedance spectroscopy study of corrosion inhibition of steel by pyrazine in sulphuric acidic solution Fulltext Access 8 Pages 2006
Raman spectroscopic investigations of dl-serine and dl-valine under pressure Fulltext Access 8 Pages 2006
N-N2 state to state vibrational-relaxation and dissociation rates based on quasiclassical calculations Fulltext Access 8 Pages 2006
'Exact' integral equation theory and local formulation for excess thermodynamic properties of hard spheres Fulltext Access 8 Pages 2006
Electronic spectral and photophysical properties of some p-phenylenevinylene oligomers in solution and thin films Fulltext Access 8 Pages 2006
Adsorption energy distribution in activated carbon from grand canonical Monte Carlo calculation Fulltext Access 8 Pages 2006
Inhibition effect of self-assembled films formed by gold nanoparticles on iron surface Fulltext Access 8 Pages 2006
The study of ion mixed amorphous carbon films on single crystal silicon by C ion implantation Fulltext Access 8 Pages 2006
Formation and characterization of conductive thin layers of copper sulfide (CuxS) on the surface of polyethylene and polyamide by the use of higher polythionic acids Fulltext Access 8 Pages 2006
Interband transitions and electronic properties of InAs/GaAs quantum dots embedded in AlxGa1âxAs/GaAs modulation-doped heterostructures Fulltext Access 8 Pages 2006
Morphological characteristics of amorphous Ge2Sb2Te5 films after a single femtosecond laser pulse irradiation Fulltext Access 8 Pages 2006
Investigation of chemical decomposition of CCl4 on TiO2 near room temperature Fulltext Access 8 Pages 2006
Use of modified chemical route for ZnSe nanocrystalline thin films growth: Study on surface morphology and physical properties Fulltext Access 8 Pages 2006
Structural and optical properties of amorphous hydrogenated silicon carbonitride films produced by PECVD Fulltext Access 8 Pages 2006
Atomic force microscopy study of thermal stability of silver selenide thin films grown on silicon Fulltext Access 8 Pages 2006
Polar oscillation and dispersion properties of quasi-confined optical phonon modes in a wurtzite GaN/AlxGa1âxN nanowire Fulltext Access 8 Pages 2006
Influence of silver on the anodic corrosion and gas evolution of Pb-Sb-As-Se alloys as positive grids in lead acid batteries Fulltext Access 8 Pages 2006
Using time-of-flight secondary ion mass spectrometry and multivariate statistical analysis to detect and image octabenzyl-polyhedral oligomeric silsesquioxane in polycarbonate Fulltext Access 8 Pages 2006
Surface modification by oil jet peening in Al alloys, AA6063-T6 and AA6061-T4: Residual stress and hardness Fulltext Access 8 Pages 2006