Three-photon absorption enhancement in symmetrical charge transfer pull-pull fluorene derivatives Fulltext Access 5 Pages 2005
Interaction of bihalogen anions with nitrogen: Matrix-isolation study and first principle calculations of the (ClHCl)ââ¯N2 and (BrHBr)ââ¯N2 complexes Fulltext Access 5 Pages 2005
Substitution effects on the visible spectra of 1,4-diNHPh-9,10-anthraquinones Fulltext Access 5 Pages 2005
The role of semiconducting hosts on photoluminescence efficiency of Eu-complex Fulltext Access 5 Pages 2005
A new fitting law of rovibrationally inelastic rate constants for rapidly rotating molecules Fulltext Access 5 Pages 2005
Optimal oxygen concentration for the detection of single indocarbocyanine molecules in a polymeric matrix Fulltext Access 5 Pages 2005
Optimizing frequency dispersed transient absorption signals: A computational study Fulltext Access 5 Pages 2005
Some aspects of quasi-steady state of nitrogen-14 quadrupolar spin-system Fulltext Access 5 Pages 2005
Application of 2D-HYSCORE spectroscopy to tyrosine radicals YDandYZ in photosystem II for evaluation of spin density distributions Fulltext Access 5 Pages 2005
A practical approach to determine the handedness of chiral carbon nanotubes by electron diffraction Fulltext Access 5 Pages 2005
Growth and photodissociation of U+(C6H6)n (n = 1-3) and UOm+ (C6H6) (m = 1, 2) complexes Fulltext Access 5 Pages 2005
Conformational properties of poly (vinyl Fluoride) based upon ab initio electronic structure calculations Fulltext Access 5 Pages 2005
Strains induced in carbon nanotubes due to the presence of ions: Ab initio restricted Hatree-Fock calculations Fulltext Access 5 Pages 2005
Dipolar field effects described by boson operators techniques: The case of intermolecular multiple-quantum coherences in liquids Fulltext Access 5 Pages 2005
Spectroscopic properties of Pr3+: 1D2 â 1G4 transition in SiO2-based glasses Fulltext Access 5 Pages 2005
Self-assembled methanofullerene vesicles and their encapsulation of pyrene Fulltext Access 5 Pages 2005
Preparation and photophysical properties of nanostructured 9-cyanoanthracene Fulltext Access 5 Pages 2005
NH3(ν2) inversion doubling and two-mode interaction of PH3(ν4,ν2) in V-V energy transfer with PH2(XË2B1;v2â³=1) Fulltext Access 5 Pages 2005
Fate of several hydroxyalkyl isoprene radicals: Formation of hydroxycarbonyl compounds Fulltext Access 5 Pages 2005
An electron localization function study of the trimerization of acetylene: Reaction mechanism and development of aromaticity Fulltext Access 5 Pages 2005
Oriented silicon nanowires on silicon substrates from oxide-assisted growth and gold catalysts Fulltext Access 5 Pages 2005
Hydroperoxy radical as hydrogen bond donor: NH3-HOO complex - ab initio and topological study Fulltext Access 5 Pages 2005
From OBeHe to H3BOBeHe: Enhancing the stability of a neutral helium compound Fulltext Access 5 Pages 2005
Sensitive observations of orbital electron density image by electron momentum spectroscopy with different impact energies Fulltext Access 5 Pages 2005
Temperature and pressure dependence of the absorption spectra and decay kinetics of solvated electrons in ethanol from 22 to 250 °C studied by pulse radiolysis Fulltext Access 5 Pages 2005
Limiting high-pressure rate coefficient for the recombination reaction FSO2 + FSO3 â FS(O2)O(O2)SF: An experimental and theoretical study Fulltext Access 5 Pages 2005
Intra and intermodular exchange interactions in bis(α-aminoisobutyrato)oxalamidodicopper(Aib-COCO-Aib)Cu2 Fulltext Access 5 Pages 2005
Study of photoisomerization and photo-orientation of cyano-substituted 4â²-N,N-dimethylamino-nitrosilbene and phenylhydrazone derivatives doped films Fulltext Access 5 Pages 2005
Molecular motions in liquid crystal 4-n-octyloxy-4â²-cyanobiphenyl (8OCB) Fulltext Access 5 Pages 2005
Sites structure and spectroscopic properties of Yb-doped and Yb, Na-codoped CaF2 laser crystals Fulltext Access 5 Pages 2005
The interaction of N2 with active sites of graphite: A theoretical study Fulltext Access 5 Pages 2005
Structural study of hexanethiolate on Au(1Â 1Â 1) in the 'striped' phase Fulltext Access 5 Pages 2005
Orientational imaging and tracking of single CdSe nanocrystals by defocused microscopy Fulltext Access 5 Pages 2005
Ab initio study of nucleation on the diamond (1Â 0Â 0) surface during chemical vapor deposition with methyl and H radicals Fulltext Access 5 Pages 2005
Investigations of electron-paramagnetic-resonance parameters of trigonal (CrO4)4â, (MnO4)3â and (FeO4)2â clusters in Y2SiO4:Cr4+, Ba3(VO4)2:Mn5+ and K2CrO4:Fe6+ crystals Fulltext Access 5 Pages 2005
Hydrogen bond stabilization in Diels-Alder transition states: The cycloaddition of hydroxy-ortho-quinodimethane with fumaric acid and dimethylfumarate Fulltext Access 5 Pages 2005
Intermolecular orbital repulsion effect on the blue-shifted hydrogen bond Fulltext Access 5 Pages 2005
A modified version of the analytical potential function for the global ab initio ground-state potential energy surface of the BrH2 system Fulltext Access 5 Pages 2005
Metallic behaviour and molecular motions in a 1-D -Pt-Pt-I- type complex, Pt2(CH3CS2)4I, studied by solid-state 13C and 1H NMR Fulltext Access 5 Pages 2005
Coincidence Doppler broadening study of polar and nonpolar molecules in liquid and solid states Fulltext Access 5 Pages 2005
Glass transition temperature of a cationic polymethacrylate dependent on the plasticizer content - Simulation vs. experiment Fulltext Access 5 Pages 2005
A severe artifact in simulation of liquid water using a long cut-off length: Appearance of a strange layer structure Fulltext Access 5 Pages 2005
Anomalous binding sequence of CO ligands to an anionic triplatinum carbonyl complex Fulltext Access 5 Pages 2005
Theoretical study of transition metal dimer AuM (MÂ =Â 3d, 4d, 5d element) Fulltext Access 5 Pages 2005
Excited-state double-proton transfer in the (3-methyl-7-azaindole)-(7-azaindole) hetero-dimer in the gas phase Fulltext Access 5 Pages 2005
High temperature rate coefficient measurements of HÂ +Â O2 chain-branching and chain-terminating reaction Fulltext Access 5 Pages 2005
Formation of the end-on bonded OTiNN dinitrogen complex and its photoconversion to the side-on bonded OTi(N2) molecule Fulltext Access 5 Pages 2005
UV-induced single and double hydrogen-atom migrations in 3,6-diimino-1,4-cyclohexadiene-1,4-diamine in a low-temperature argon matrix Fulltext Access 5 Pages 2005
A low cost method for the direct synthesis of highly Y-branched nanotubes Fulltext Access 5 Pages 2005
Dual-level direct dynamics calculations of kinetic isotope effects for the CH4 + F â CH3 + HF abstraction reaction Fulltext Access 5 Pages 2005
Charges derived from electrostatic potentials: Exploring dependence on theory and geometry optimization levels for dipole moments Fulltext Access 5 Pages 2005
Concentration dependence of transport diffusion of ethane in silicalite: A comparison between neutron scattering experiments and atomically detailed simulations Fulltext Access 5 Pages 2005
Theoretical interpretation of different nanotube morphologies among Group III (B, Al, Ga) nitrides Fulltext Access 5 Pages 2005
Simulation of amide Iâ² band profiles of trans polyproline based on an excitonic coupling model Fulltext Access 5 Pages 2005
PITANSEMA-MAS, a solid-state NMR method to measure heteronuclear dipolar couplings under MAS Fulltext Access 5 Pages 2005
Evidence for a non-planar conformer and conformational isomerization of o-fluoroanisole in a low-temperature Ar matrix Fulltext Access 5 Pages 2005
Excitation energy effect on the early photophysics of hypericin in solution Fulltext Access 5 Pages 2005
Temperature dependence of the transport coefficients of ions from molecular dynamics simulations Fulltext Access 5 Pages 2005
Investigation of competing interactions in alkali metal ion-acetone-water clusters Fulltext Access 5 Pages 2005
Exciton-phonon coupling for the lowest Davydov component of quaterthiophene Fulltext Access 5 Pages 2005
Direct observation of DNA condensation in a nano-cage by using a molecular ruler Fulltext Access 5 Pages 2005
Large spectral diffusion of conjugated polymer single molecule fluorescence at low temperature Fulltext Access 5 Pages 2005
The diffuse v = 4 and 5 vibrational levels of the B 1Σ+ Rydberg state of carbon monoxide Fulltext Access 5 Pages 2005
A relative similarity measure for the similarity analysis of DNA sequences Fulltext Access 5 Pages 2005
Unique temperature dependence in the adduct formation between FMN and cysteine S-H group in the LOV2 domain of Adiantum phytochrome3 Fulltext Access 5 Pages 2005
The influence of the structure of the radical cation dimer pair of aromatic molecules on the principal values of a g-tensor: DFT predictions Fulltext Access 5 Pages 2005
Particle size effects in the adsorption dynamics of CO: The structure-activity relationship in the case of Cu/Zn-ZnO Fulltext Access 5 Pages 2005
Effect of entrance channel topology on reaction dynamics: O(3P) + CH4 â CH3 + OH Fulltext Access 5 Pages 2005
Rotamers of p-methoxyphenol cation studied by mass analyzed threshold ionization spectroscopy Fulltext Access 5 Pages 2005
Marcus inversion in electron transfer reactions between coumarins and aliphatic amines in TX-100 micellar solution Fulltext Access 5 Pages 2005
Tunneling motions and the barrier to inversion in the dimethyl ether-CS2 van der Waals dimer Fulltext Access 5 Pages 2005
Quantum entanglement and nonlocal proton transfer dynamics in dimers of formic acid and analogues Fulltext Access 5 Pages 2005
Ab initio path integral molecular dynamics simulation study on the dihydrogen bond of NH4+â¯BeH2 Fulltext Access 5 Pages 2005
Patterns and networks of hydrogen-bonds in the hydration structure of human lysozyme Fulltext Access 5 Pages 2005
Observation of vibronic emission spectra of jet-cooled o-cyanobenzyl radical in the D1 â D0 transition Fulltext Access 5 Pages 2005
Direct ESR evidence for SH2 type reaction of methyl radical with methylsilane and methylgermane in a low temperature solid: A deuterium labeling study Fulltext Access 5 Pages 2005
On the energy transfer from nanocrystalline ZnS to Tb3+ ions confined in reverse micelles Fulltext Access 5 Pages 2005
Coexistence of ferromagnetic and antiferromagnetic interactions and magnetic ordering in the alternating stacking structure of (BDTA)[Ni(mnt)2]: Possible supramolecular superexchange mechanism Fulltext Access 5 Pages 2005
Polyions act as an electrostatic glue for mesoscopic particle aggregates Fulltext Access 5 Pages 2005
Concentration profile of hydrated HOBr complexes in the Earth's atmosphere Fulltext Access 5 Pages 2005
Amplified spontaneous emission from a new 4-triarylamine substituted 1,8-naphthalimide semiconductor oligomer Fulltext Access 5 Pages 2005