1) Oscillatory behaviour of catalytic properties, structure and temperature during the catalytic partial oxidation of methane on Pd/Al2O3 (Physical Chemistry Chemical Physics) Monday February 8th 2010 2) Ionic liquids assisted formation of an oil/water emulsion stabilised by a carbon nanotube/ionic liquid composite layer (Physical Chemistry Chemical Physics) Friday February 5th 2010 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 3) Facilitated search of proteins on DNA: correlations are important (Physical Chemistry Chemical Physics) Friday February 5th 2010 4) Mechanism for optical switching of the spin crossover [Fe(NH2-trz)3](Br)2[middle dot]3H2O compound at room temperature (Physical Chemistry Chemical Physics) Thursday February 4th 2010 5) Adsorption-induced structural changes of gold cations from two- to three-dimensions (Physical Chemistry Chemical Physics) Thursday February 4th 2010 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 6) Vibrational signatures of metal-chelated monosaccharide epimers: gas-phase infrared spectroscopy of Rb+-tagged glucuronic and iduronic acid (Physical Chemistry Chemical Physics) Thursday February 4th 2010 7) Polymer-microporous host interactions probed by photoluminescence spectroscopy (Physical Chemistry Chemical Physics) Thursday February 4th 2010 8) Dynamics on the microsecond timescale in hydrous silicates studied by solid-state 2H NMR spectroscopy (Physical Chemistry Chemical Physics) Thursday February 4th 2010 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 9) Influence of OH groups on charge transport across organic-organic interfaces: a systematic approach employing an "ideal" device (Physical Chemistry Chemical Physics) Wednesday February 3rd 2010 10) Preferential solvation of glucose and talose in water-acetonitrile mixtures: a molecular dynamics simulation study (Physical Chemistry Chemical Physics) Wednesday February 3rd 2010 11) Deformation of liquid-filled calcium alginate capsules in a spinning drop apparatus (Physical Chemistry Chemical Physics) Wednesday February 3rd 2010 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 12) The experimental determination of the conductance of single molecules (Physical Chemistry Chemical Physics) Wednesday February 3rd 2010 13) Spectroscopical properties of organic/metal nanohybrids (Physical Chemistry Chemical Physics) Wednesday February 3rd 2010 14) Density functional calculations of the electronic structure of 3-phenylamino-4-phenyl-1,2,4-triazole-5-thione (Physical Chemistry Chemical Physics) Wednesday February 3rd 2010 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 15) Orientation dependence in the four-atom reaction of OH + HBr using the single-state oriented OH radical beam (Physical Chemistry Chemical Physics) Tuesday February 2nd 2010 16) Time-resolved gas-phase kinetic study of the germylene addition reaction, GeH2 + C2D2 (Physical Chemistry Chemical Physics) Tuesday February 2nd 2010 17) Structure of self-organized diblock copolymer solutions in partially miscible solvents (Physical Chemistry Chemical Physics) Tuesday February 2nd 2010 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 18) Excited state polarizabilities of methanol clusters (Physical Chemistry Chemical Physics) Tuesday February 2nd 2010 19) Temperature-dependent ozonolysis kinetics of selected alkenes in the gas phase: an experimental and structure-activity relationship (SAR) study (Physical Chemistry Chemical Physics) Tuesday February 2nd 2010 20) Strong combination-band IR emission from highly vibrationally excited acetylene (Physical Chemistry Chemical Physics) Tuesday February 2nd 2010 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 21) Consensus modes, a robust description of protein collective motions from multiple-minima normal mode analysis-application to the HIV-1 protease (Physical Chemistry Chemical Physics) Monday February 1st 2010 22) Calibration of 57Fe isomer shift from ab initio calculations: can theory and experiment reach an agreement? (Physical Chemistry Chemical Physics) Monday February 1st 2010 23) The conformation and orientational order of a 1,2-disubstituted ethane nematogenic molecule (I22) in liquid crystalline and isotropic phases studied by NMR spectroscopy (Physical Chemistry Chemical Physics) Monday February 1st 2010 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 24) Adenine ribbon stabilized by Watson-Crick and Hoogsteen hydrogen Bonds: WFT and DFT study (Physical Chemistry Chemical Physics) Friday January 29th 2010 25) Studies of water and ice in hydrophilic and hydrophobic mesoporous silicas: pore characterisation and phase transformations (Physical Chemistry Chemical Physics) Thursday January 28th 2010 26) Theoretical evidence of the observed kinetic order dependence on temperature during the N2O decomposition over Fe-ZSM-5 (Physical Chemistry Chemical Physics) Thursday January 28th 2010 0 comments, related, 2 Up Votes 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 27) An investigation of slow charge separation in a Tyrosine M210 to Tryptophan mutant of the Rhodobacter sphaeroides reaction center by femtosecond mid-infrared spectroscopy (Physical Chemistry Chemical Physics) Thursday January 28th 2010 28) The photodissociation dynamics of N-nitrosopyrrolidine from the first and second excited singlet states studied by velocity map imaging (Physical Chemistry Chemical Physics) Thursday January 28th 2010 29) Calculation of absorption and emission spectra of [n]cycloparaphenylenes: the reason for the large Stokes shift (Physical Chemistry Chemical Physics) Thursday January 28th 2010 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 30) DFT studies of the degradation mechanism of methyl mercury activated by a sulfur-rich ligand (Physical Chemistry Chemical Physics) Thursday January 28th 2010 31) Solid-state dye-sensitized solar cells using polymerized ionic liquid electrolyte with platinum-free counter electrode (Physical Chemistry Chemical Physics) Thursday January 28th 2010 32) Do solvation layers of ionic liquids influence electrochemical reactions? (Physical Chemistry Chemical Physics) Thursday January 28th 2010 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 33) Reactivity of crotonaldehyde and propene over Au/Pd(111) surfaces (Physical Chemistry Chemical Physics) Thursday January 28th 2010 34) Glancing-angle Raman spectroscopic probe for reaction kinetics at water surfaces (Physical Chemistry Chemical Physics) Thursday January 28th 2010 35) Interaction of water, hydrogen and their mixtures with SnO2 based materials: the role of surface hydroxyl groups in detection mechanisms (Physical Chemistry Chemical Physics) Thursday January 28th 2010 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 36) Crystallite size-dependent phases in nanocrystalline ZrO2-Sc2O3 (Physical Chemistry Chemical Physics) Thursday January 28th 2010 37) Dynamics of multi-channel dissociation of tetrahydrofuran photoexcited at 193 nm: distributions of kinetic energy, angular anisotropies and branching ratios (Physical Chemistry Chemical Physics) Thursday January 28th 2010 38) Theoretical study of electronic structures of [(H2O)3(O-)Mn([small mu]-oxo)2Mn(OH2)4]q+ (q = 2 or 3) with Mn-O bond (Physical Chemistry Chemical Physics) Thursday January 28th 2010 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 39) One-step covalent microcontact printing approach to produce patterns of lactate oxidase (Physical Chemistry Chemical Physics) Wednesday January 27th 2010 40) Understanding siloxane functionalised ionic liquids (Physical Chemistry Chemical Physics) Wednesday January 27th 2010 41) Comment on "On using a too large integration time step in molecular dynamics simulations of coarse-grained molecular models" by M. Winger, D. Trzesniak, R. Baron and W. F. van Gunsteren, Phys. Chem. Chem. Phys., 2009, 11, 1934 (Physical Chemistry Chemical Physics) Wednesday January 27th 2010 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 42) Reply to the 'Comment on "On using a too large integration time step in molecular dynamics simulations of coarse-grained molecular models"' by S. J. Marrink, X. Periole, D. Peter Tieleman and Alex H. de Vries, Phys. Chem. Chem. Phys., 2010, 12, DOI: 10.1039/b915293h (Physical Chemistry Chemical Physics) Wednesday January 27th 2010 43) Unraveling solvent effects on the electronic absorption spectra of TRITC fluorophore in solution: a theoretical TD-DFT/PCM study (Physical Chemistry Chemical Physics) Wednesday January 27th 2010 44) Ab initio study of the antiferromagnetic coupling in the wheel-shaped [Cu20Cl(OH)24(H2O)12(P8W48O184)]25- anion (Physical Chemistry Chemical Physics) Wednesday January 27th 2010 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 45) Photodetachment of tryptophan anion: an optical probe of remote electron (Physical Chemistry Chemical Physics) Wednesday January 27th 2010 46) Theoretical investigation of hydrogen atom transfer in the adenine-thymine base pair and its coupling with the electronic rearrangement. Concerted vs. stepwise mechanism (Physical Chemistry Chemical Physics) Wednesday January 27th 2010 47) Experimental and theoretical study of neutral AlmCn and AlmCnHx clusters (Physical Chemistry Chemical Physics) Wednesday January 27th 2010 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 48) Electro-optical study of chiral nematic liquid crystal/chiral ionic liquid composites with electrically controllable selective reflection characteristics (Physical Chemistry Chemical Physics) Wednesday January 27th 2010 49) An ab initio/RRKM study of the reaction mechanism and product branching ratios of the reactions of ethynyl radical with allene and methylacetylene (Physical Chemistry Chemical Physics) Wednesday January 27th 2010 50) Fast photo-processes in triazole-based push-pull systems (Physical Chemistry Chemical Physics) Wednesday January 27th 2010 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote 0 comments, related, 1 Up Vote View: prev | next

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