Spectroscopic and theoretical studies on copper(II) complex of maleonitriledithiolate and 5-nitro-1,10-phenanthroline Fulltext Access 7 Pages 2006
Spectroscopy of ionic and neutral forms of some substituted porphyrins in ground and excited states Fulltext Access 7 Pages 2006
Syntheses, structures and luminescence of silver(I) sulfonate complexes with PPh3 ligand Fulltext Access 7 Pages 2006
Second sphere coordination in anion binding: Synthesis and spectroscopic characterisation of [trans-Co(en)2Cl2]X (X=SCN or N3). Single crystal X-ray structure determination and packing of [trans-Co(en)2Cl2]N3 Fulltext Access 7 Pages 2006
X-ray crystal structure and Cu2+ doped EPR studies of tetraaquabis(isonicotinamide)zinc(II) and -cobalt(II) disaccharinate 1.5 hydrate single crystals Fulltext Access 7 Pages 2006
Novel molecular staircases constructing from H-bonding interactions based on the building blocks of [Ni(mnt)2]â ions: syntheses, crystal structures, EPR spectra and magnetic properties Fulltext Access 7 Pages 2006
The crystal structures of some -o-hydroxy Schiff base copper(II) complexes derived from (R) and (S) secbutylamines Fulltext Access 7 Pages 2006
Synthesis of three d10 compounds based on N-(3-pyridylmethyl)benzimidazole, the effect of radius of metal ions on structure and the function of ligand Fulltext Access 7 Pages 2006
Kinetic study of the proton transfer reaction between 1-nitro-1-(4-nitrophenyl)alkanes and P1-t-Bu phosphazene base in THF solvent Fulltext Access 7 Pages 2006
Weak ferromagnetic behavior, crystal structure, and electronic studies of novel [Cu(II)(Br)(PhCO2)(Sp)] (Sp=(â)-sparteine) complex Fulltext Access 7 Pages 2006
Ab initio prediction of the structure and energetics of the complexes of 1-nitro-1-(4-nitrophenyl)ethane and TBD and MTBD bases Fulltext Access 7 Pages 2006
Spectral-luminescent study of interaction of squaraine dyes with biological substances Fulltext Access 7 Pages 2006
Synthesis and crystal structure of two supramolecular compounds constructed from amantadine and polyoxometalate Fulltext Access 7 Pages 2006
Theoretical investigation on the one- and two-photon absorption properties for a series of symmetrical charge transfer fluorene-phenylene and fluorene-thiophene derivatives Fulltext Access 7 Pages 2006
Orthorhombic-to-monoclinic temperature-dependent phase transition of hexamethylenetetraminium-3,5-dinitrobenzoate-3,5-dinitrobenzoic acid monohydrate crystal Fulltext Access 7 Pages 2006
Spectroscopic and PM5 semiempirical study of a new lasalocid ester with 2-allyloxyethanol and its complexes with monovalent cations Fulltext Access 7 Pages 2006
Gas-phase detection of HSOD and empirical equilibrium structure of oxadisulfane Fulltext Access 7 Pages 2006
Long-path infrared spectra of SiH4–Ar, –Kr, and –para-H2 van der Waals complexes in the 2190 cm−1 region Fulltext Access 7 Pages 2006
The millimeter wave spectrum of cis-HCOOH in the ground state and in the v9=1 and v7=1 excited vibrational states, and cis-H13COOH in the ground state Fulltext Access 7 Pages 2006
The perils and opportunities of reactive building blocks: Attempted synthesis of new Hg(CN)2-based coordination polymers and the structures of the resulting products Fulltext Access 7 Pages 2006
Lanthanide-isophthalate cavity frameworks encapsulated copper(I) complexes Fulltext Access 7 Pages 2006
Synthesis, structure and luminescent properties of two three-dimensional d10 metal complexes constructed from pyridine-3,4-dicarboxylic acid with new network topologies Fulltext Access 7 Pages 2006
Solvothermal synthesis, structure and magnetism of two novel 3D metal-organic frameworks based on infinite helical Mn–O–C rod-shaped building units Fulltext Access 7 Pages 2006
Exploring hydrogen-bond capable backbone and ligating topologies: Co(II) coordination polymers derived from mixed ligand systems Fulltext Access 7 Pages 2006
Ab initio predictions of the spectroscopic parameters of the germanium halomethylidyne (Ge=C-X; X=F, Cl, Br) free radicals Fulltext Access 7 Pages 2006
Theoretical study of the gas phase unimolecular elimination kinetics of 2-substituted electron-withdrawing groups of ethyl N,N-dimethylcarbamates Fulltext Access 7 Pages 2006
A classification of central nucleotides induced by the influence of neighboring nucleotides in triplets Fulltext Access 7 Pages 2006
Effect of the basis set selection on the electron momentum distribution in graphite Fulltext Access 7 Pages 2006
Ab initio study of intramolecular hydrogen transfer in formylperoxy radical Fulltext Access 7 Pages 2006
Application of the ONIOM method to enantioselective deprotonation in the presence of spartein Fulltext Access 7 Pages 2006
The hydrogen bond in the acetylene-2(HF) complex: A theoretical study about intramolecular and unusual Ïâ¯H interactions using DFT and AIM calculations Fulltext Access 7 Pages 2006
Complete basis set calculations on the tautomerism and protonation of triazoles and tetrazole Fulltext Access 7 Pages 2006
Construction of one- and two-dimensional coordination polymers using ditopic imidazole ligands Fulltext Access 7 Pages 2006
Conformational study of cationic, zwitterionic, anionic species of aspartic acid, water-added forms and their protonation. A DFT method Fulltext Access 7 Pages 2006
Diels-Alder reaction: A theoretical comprehensive study of substituent effects using the 'H* method' Fulltext Access 7 Pages 2006
Toxicity analysis of polychlorinated dibenzofurans through global and local electrophilicities Fulltext Access 7 Pages 2006
First principles study of the structure, electronic state and stability of AlnAsm+ cations Fulltext Access 7 Pages 2006
Linear relationships in α,β-unsaturated carbonyl compounds between the half-wave reduction potentials, the frontier orbital energies and the Hammett Ïp values Fulltext Access 7 Pages 2006
Effects of wave function modifications on calculated carbon-hydrogen bond lengths Fulltext Access 7 Pages 2006
Conformational isomerism and electronic interactions in some α-aminoketones Fulltext Access 7 Pages 2006
Computational study of the rearrangement reaction mechanism of phenylcarbene in a molecular container: Cram's hemicarcerand Fulltext Access 7 Pages 2006
The origin of the interaction of 1,3,5-trinitrobenzene with siloxane surface of clay minerals Fulltext Access 7 Pages 2006
Aromaticity of the planar pentagonal As5â anion in the MAs5 (M=Li, Na, K, Rb, and Cs) and MAs5+ (M=Be, Mg, Ca, Sr, and Ba) clusters Fulltext Access 7 Pages 2006
Effects of rapid thermal annealing on nitrided gate oxide grown on 4H-SiC Fulltext Access 7 Pages 2006
Improvement of TEOS-chemical mechanical polishing performance by control of slurry temperature Fulltext Access 7 Pages 2006
Effect of doping concentration on the grain boundary trap density and threshold voltage of polycrystalline SOI MOSFETs Fulltext Access 7 Pages 2006
Electrical and dielectric properties of MIS Schottky diodes at low temperatures Fulltext Access 7 Pages 2006
Fabrication of three-dimensional SiC-based ceramic micropatterns using a sequential micromolding-and-pyrolysis process Fulltext Access 7 Pages 2006
Assembly and reliability of PBGA packages on FR-4 PCBs with SnAgCu solder Fulltext Access 7 Pages 2006
Cu surface treatment influence on Si adsorption properties of CuSiN self-aligned barriers for sub-65 nm technology node Fulltext Access 7 Pages 2006
Super-resolution near-field lithography using planar silver lenses: A review of recent developments Fulltext Access 7 Pages 2006
Integrity of copper–hafnium, hafnium nitride and multilayered amorphous-like hafnium nitride metallization under various thickness Fulltext Access 7 Pages 2006
Fabrication and characterization of Zr-rich Zr-aluminate films for high-κ gate dielectric applications Fulltext Access 7 Pages 2006
Conformational analyses and docking studies of a series of 5-nitrofuran- and 5-nitrothiophen-semicarbazone derivatives in three possible binding sites of trypanothione and glutathione reductases Fulltext Access 7 Pages 2006
Quantitative structure and retention relationships for gas chromatographic data: Application to alkyl pyridines on apolar and polar phases Fulltext Access 7 Pages 2006
Computation of through-space NMR shielding effects by small-ring aromatic and antiaromatic hydrocarbons Fulltext Access 7 Pages 2006
Combined electronic-topological and neural networks study of some hydroxysemicarbazides as potential antitumor agents Fulltext Access 7 Pages 2006
Human cytidine deaminase: A three-dimensional homology model of a tetrameric metallo-enzyme inferred from the crystal structure of a distantly related dimeric homologue Fulltext Access 7 Pages 2006
Structure and adsorption of a basic probe molecule on H-ZSM-5 nanostructured zeolite: An embedded ONIOM study Fulltext Access 7 Pages 2006
Molecular modeling, docking and ADMET studies applied to the design of a novel hybrid for treatment of Alzheimer's disease Fulltext Access 7 Pages 2006
Homology modeling of the DNA-binding domain of human Smad5: A molecular model for inhibitor design Fulltext Access 7 Pages 2006
Prediction of h5-HT2A receptor antagonistic activity of arylindoles: Computational approach using topochemical descriptors Fulltext Access 7 Pages 2006
Prediction of carbon-13 NMR chemical shift of alkanes with rooted path vector Fulltext Access 7 Pages 2006
Numerical simulation of the trajectory of a light ray propagating through an optic system with non-centered spherical diopters and broken optic axis Fulltext Access 7 Pages 2006
Synthesis of two-dimensional metal–organic networks from 1,10-phenanthroline-chelated cadmium complex and polycarboxylate Fulltext Access 7 Pages 2006
Coordination networks incorporating the in situ generated ligands [OC(CO2)3]4− and [OCH(CO2)2]3− Fulltext Access 7 Pages 2006
Modeling the infrared radiance of rough sea surface in the infrared windows: 3–5 μm and 8–12 μm Fulltext Access 7 Pages 2006
On the analytical investigation of fields and power patterns in coaxial omniguiding Bragg fibers Fulltext Access 7 Pages 2006
Beyond nanosizing: an approach to shape analysis of fluorescent nanostructures by SMI-microscopy Fulltext Access 7 Pages 2006
The modelling of the influence of a corneal geometry on the pupil image of the human eye Fulltext Access 7 Pages 2006
Digital correlation of grainy shadow images for surface profile measurement Fulltext Access 7 Pages 2006
Frequency stabilization of a frequency-doubled 197.2 THz distributed feedback diode laser on rubidium 5S1/2→7S1/2 two-photon transitions Fulltext Access 7 Pages 2006
Short-pulse, high-peak-power Q-switched Tm–silica fibre laser at 1.9 μμm Fulltext Access 7 Pages 2006
Computational study of human phosphomannose isomerase: Insights from homology modeling and molecular dynamics simulation of enzyme bound substrate Fulltext Access 7 Pages 2006
Wavelength dependence of the sensitivity of a bulk-glass optical current transformer Fulltext Access 7 Pages 2006
Theoretical analysis on phase-locking properties of a laser diode array facing an external cavity Fulltext Access 7 Pages 2006
Characterization of current–voltage (I–V) and capacitance–voltage–frequency (C–V–f) features of Al/SiO2/p-Si (MIS) Schottky diodes Fulltext Access 7 Pages 2006
Modeling of silicon oxynitride etch microtrenching using genetic algorithm and neural network Fulltext Access 7 Pages 2006
Design of experiment (DOE) method considering interaction effect of process parameters for optimization of copper chemical mechanical polishing (CMP) process Fulltext Access 7 Pages 2006
The role of the interface insulator layer and interface states on the current-transport mechanism of Schottky diodes in wide temperature range Fulltext Access 7 Pages 2006