Hydrogen-bonding between cytosine and water: Computational evidence for a ring-opened complex Fulltext Access 7 Pages 2006
Low-temperature synthesis of single-walled carbon nanotubes with a narrow diameter distribution using size-classified catalyst nanoparticles Fulltext Access 7 Pages 2006
How lipid hydration and temperature affect the structure of DC-Chol-DOPE/DNA lipoplexes Fulltext Access 7 Pages 2006
Addition and hydrogen abstraction reactions of an OH radical with 8-oxoguanine Fulltext Access 7 Pages 2006
Analytical gradient of restricted second-order Møller-Plesset correlation energy with the resolution of the identity approximation, applied to the TCNE dimer anion complex Fulltext Access 7 Pages 2006
Degradation mechanism of benzene by NO3 radicals in the atmosphere: A DFT study Fulltext Access 7 Pages 2006
Theoretical study on the ionic dissociation of halosulfonic acids in small water clusters Fulltext Access 7 Pages 2006
Simulation of the life cycle of adsorbate islands on the Pt(1Â 0Â 0) surface during the NOÂ +Â NH3 reaction Fulltext Access 7 Pages 2006
The vertical electronic spectrum of pyrrole: A second and third order n-electron valence state perturbation theory study Fulltext Access 7 Pages 2006
Temperature-dependent photoluminescence of organic light-emitting materials: Types and characteristics of excitons involved in the emitting process Fulltext Access 7 Pages 2006
Polymer electrolytes containing ionic liquids with acidic counteranion (DMRImH2PO4, RÂ =Â ethyl, butyl and octyl) Fulltext Access 7 Pages 2006
Spectroscopic constants and potential energy curves of gallium nitride (GaN) and ions: GaN+ and GaNâ Fulltext Access 7 Pages 2006
Two-photon absorption of new multibranched chromophore with dibenzothiophene core Fulltext Access 7 Pages 2006
Magnetic field effect on pyrene-DMA exciplex luminescence in non-aqueous AOT reverse micelle Fulltext Access 7 Pages 2006
Fragment molecular orbital calculations on large scale systems containing heavy metal atom Fulltext Access 7 Pages 2006
Interactions between xenon and phospholipid bicelles studied by 2H/129Xe/131Xe NMR and optical pumping of nuclear spins Fulltext Access 7 Pages 2006
Efficient coating of N-doped carbon nanotubes with polystyrene using atomic transfer radical polymerization Fulltext Access 7 Pages 2006
An isodesmic reaction based approach to aromaticity of a large spectrum of molecules Fulltext Access 7 Pages 2006
The importance of water clusters (H2O)n (n = 2, â¦Â , 4) in the reaction of Criegee intermediate with water in the atmosphere Fulltext Access 7 Pages 2006
The hypervalent PF4H species dimer: A system with double blue-shifted P-Hâ¯F hydrogen bonding? Fulltext Access 7 Pages 2006
Structure and binding energies in van der Waals dimers: Comparison between density functional theory and correlated ab initio methods Fulltext Access 7 Pages 2006
A theoretical study of α- and β-d-glucopyranose conformations by the density functional theory Fulltext Access 7 Pages 2006
Room temperature infrared-laser-induced upconversion in Nd3+ doped Ta2O5 waveguides Fulltext Access 7 Pages 2006
Rate coefficients for the relaxation of OH (v = 1) by O2 at temperatures from 204-371 K and by N2O from 243-372 K Fulltext Access 7 Pages 2006
Substituent and solvent effects on the UV/vis absorption spectra of 5-(3- and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones Fulltext Access 7 Pages 2006
A matrix-free laser desorption method for production of nucleobase clusters and their hydrates Fulltext Access 7 Pages 2006
Time-dependent density functional theory (TDDFT) calculations for core-excited states: Assessment of an exchange functional combining the Becke88 and van Leeuwen-Baerends-type functionals Fulltext Access 7 Pages 2006
A survey of hydrogen bonding in imidazole and its 4-nitro derivative by ab initio and DFT calculations of chemical shielding Fulltext Access 7 Pages 2006
Hardness and softness kernels, and related indices in the spin polarized version of density functional theory Fulltext Access 7 Pages 2006
Detection of spectral inhomogeneities of mesoscopic thiacyanine J aggregates in solution by the apparent CD spectral measurement Fulltext Access 7 Pages 2006
Theoretical CASPT2 study of the excited state double proton transfer reaction in the 7-azaindole dimer Fulltext Access 7 Pages 2006
On the stability of dense versus cage-shaped water clusters: Quantum-chemical investigations of zero-point energies, free energies, basis-set effects and IR spectra of (H2O)12 and (H2O)20 Fulltext Access 7 Pages 2006
IV characteristics of molecular wires in the presence of intramolecular vibrational energy redistribution Fulltext Access 7 Pages 2006
Alignment of ethylene molecules in supersonic seeded expansions probed by infrared polarized laser absorption and by molecular beam scattering Fulltext Access 7 Pages 2006
Non-Markovian decay beyond the Fermi Golden Rule: Survival collapse of the polarization in spin chains Fulltext Access 7 Pages 2006
Helix-to-coil transitions in proteins: Helicity resonance in ultrafast electron diffraction Fulltext Access 7 Pages 2006
Preparation and characterization of novel Pd/SiO2 and Ca-Pd/SiO2 egg-shell catalysts with porous hollow silica Fulltext Access 7 Pages 2006
TEM monitoring of silver nanoparticles formation on the surface of lead crystal glass Fulltext Access 7 Pages 2006
Bulk periodic structures formation on monocrystalline silicon surface under the action of compression plasma flows Fulltext Access 7 Pages 2006
Structure and frictional properties of Langmuir-Blodgett films of Cu nanoparticles modified by dialkyldithiophosphate Fulltext Access 7 Pages 2006
Studies on fabrication of Ag/Tl2Ba2Ca2Cu3O10/CdSe heterostructures with electrochemical technique Fulltext Access 7 Pages 2006
Physico-chemical, optical and electrochemical properties of iron oxide thin films prepared by spray pyrolysis Fulltext Access 7 Pages 2006
Synthesis, characterization, and corrosion protection properties of poly(N-(methacryloyloxymethyl) benzotriazole-co-methyl methacrylate) on mild steel Fulltext Access 7 Pages 2006
Tribological properties of chemically bonded polyimide films on silicon with polyglycidyl methacrylate brush as adhesive layer Fulltext Access 7 Pages 2006
Laser (a pulsed Nd:YAG) cladding of AZ91D magnesium alloy with Al and Al2O3 powders Fulltext Access 7 Pages 2006
Superconducting molybdenum nitride epitaxial thin films deposited on MgO and α-Al2O3 substrates by molecular beam epitaxy Fulltext Access 7 Pages 2006
Preparation and characterization of C54 TiSi2 nanoislands on Si (1 1 1) by laser deposition of TiO2 Fulltext Access 7 Pages 2006
Surface modification of polyacrylonitrile-based carbon fiber and its interaction with imide Fulltext Access 7 Pages 2006
Segregation of H, C and B to Σ = 5 (0 1 3) α-Fe grain boundary: A theoretical study Fulltext Access 7 Pages 2006
Formation of periodic structures by surface treatments of polyamide fiber: Part I. UV excimer laser irradiation Fulltext Access 7 Pages 2006
The comparative study of thermal fatigue behavior of laser deep penetration spot cladding coating and brush plating Ni-W-Co coating Fulltext Access 7 Pages 2006
Degradation formula and working lifetime prediction for high-temperature coating Fulltext Access 7 Pages 2006
Infrared reflection absorption study of carbon monoxide adsorption on Pd/Cu(1 1 1) Fulltext Access 7 Pages 2006
Study on the bonding state for carbon-boron nitrogen with different ball milling time Fulltext Access 7 Pages 2006
Al-pillared clays supported rare earths and palladium catalysts for deep oxidation of low concentration of benzene Fulltext Access 7 Pages 2006
Electroless Ni-P coating preparation of conductive mica powder by a modified activation process Fulltext Access 7 Pages 2006
Structural, electrical and optical properties of ZnS films deposited by close-spaced evaporation Fulltext Access 7 Pages 2006
Steady-state mechanism for polymer ablation by a free-running Er:YAG laser Fulltext Access 7 Pages 2006
Analysis of Floquet formulation of time-dependent density-functional theory Fulltext Access 7 Pages 2006
Improved double-quantum NMR correlation spectroscopy of dipolar-coupled quadrupolar spins Fulltext Access 7 Pages 2006
STARTMAS: A MAS-based method for acquiring isotropic NMR spectra of spin IÂ =Â 3/2 nuclei in real time Fulltext Access 7 Pages 2006
Theoretical predictions for occurrence of charge transfer complex within the two synthesized bichromophores considering the role of their spacers in interactions with the Ï-orbitals of the redox centers Fulltext Access 7 Pages 2006
Geminate recombination in the presence of scavengers: Breakdown of the superposition approximation Fulltext Access 7 Pages 2006
Hemithioindigo-based photoswitches as ultrafast light trigger in chromopeptides Fulltext Access 7 Pages 2006
Theoretical mechanisms and kinetics of the hydrogen abstraction reaction of acetone by chlorine radical Fulltext Access 7 Pages 2006
Interaction of a long molecular wire with a nanostructured surface: Violet Landers on Cu(2Â 1Â 1) Fulltext Access 7 Pages 2006
Explaining the sequence of protonation affinities of cytosine with QTAIM Fulltext Access 7 Pages 2006
Improved methods for mapped grids: Applied to highly excited vibrational states of diatomic molecules Fulltext Access 7 Pages 2006
Deposition conditions in tailoring the morphology of highly porous reticular films prepared by electrostatic spray deposition (ESD) technique Fulltext Access 7 Pages 2006
Direct growth of the multi-walled carbon nanotubes as a tool to detect ammonia at room temperature Fulltext Access 7 Pages 2006
Disentangling the complex line profiles in the Cl 2p photoelectron spectra of Cl2 Fulltext Access 7 Pages 2006
An application of second and third-order n-electron valence state perturbation theory to the calculation of the vertical electronic spectrum of furan Fulltext Access 7 Pages 2006
Performance of various density functionals for the hydrogen bonds in DNA base pairs Fulltext Access 7 Pages 2006
Quantum chemical study of biradical decay channels in cytidine nucleosides Fulltext Access 7 Pages 2006
Cooperative relaxation of the metastable states in the photomagnetic octacyanotungstate CsI[{CoII(3-CN-py)2}{WV(CN)8}] · H2O Fulltext Access 7 Pages 2006
The photophysics of some UV-MALDI matrices studied by using spectroscopic, photoacoustic and luminescence techniques Fulltext Access 7 Pages 2006
H-bonding assisted intramolecular charge transfer in 1-aminopyrene derivatives Fulltext Access 7 Pages 2006
Quantum chemical topology description of the hydrogen transfer between the ethynyl radical and ammonia (C2HÂ +Â NH3) - The electron localization function study Fulltext Access 7 Pages 2006
Second-order integrators for Langevin equations with holonomic constraints Fulltext Access 7 Pages 2006