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PCCP Covers 2005
PCCP covers from 2005 are available for browsing here
Cover Gallery
Ralf Kaiser et al., p4089. Irradiation effects in the ices on the surface of Triton are likely to produce unstable reaction intermediates such as the OCNO molecule that may be preserved in this low temperature matrix environment.
DOI: 10.1039/B511978B
PCCP Issue 24, 2005 Inside Cover
Thorsten Koslowski et al., p4039. Geometric fluctuations affect the potential energy curves relevant to charge transfer - as illustrated for DNA bulges here - and the emerging hole transfer reaction rates.
DOI: 10.1039/B516180K
Michael Deem et al., p3910. Parallel tempering helps computer simulations of complex systems to navigate rugged energy landscapes.
DOI: 10.1039/B509983H
Daniel Murgida et al., p3773. Surface-enhanced vibrational spectroscopy probes heterogeneous electron transfer and redox-linked structural changes of immobilized heme proteins.
DOI: 10.1039/B507989F
Alessandra Degli Esposti et al., p3738. Snapshot of the reorganisation energy process which TPA based compounds undergo in an electron transfer process.
DOI: 10.1039/B509149G
PCCP Issue 21, 2005 Inside Cover
Fabio Ganazzoli et al., p3651. The final adsorption state of a fragment of human serum albumin on the surfaces of graphite and amorphous glassy poly (vinyl alcohol).
DOI: 10.1039/B514150H
Vicki Grassian et al., p3587. In the presence of adsorbed water, gas-phase organic acids react on CaCO3 particles to form metastable crystal phases on the particle surface. The crystallites can be seen with SEM.
DOI: 10.1039/B510112C
Arnaud Delcorte, p3395. Snapshot from the Molecular Dynamics showing the Desorption of Polystyrene Molecules upon 5 keV Argon Bombardment
DOI: 10.1039/B509238H
R. Stephen Berry et al., p3276. Visualization of Electron Correlation in Autoionizing States above the 3p threshold in Magnesium
DOI: 10.1039/B508158K
Ingrid Kohl et al., p3210. Ultrastructure of micrometre-sized water droplets hyperquenched to a glass, heated to 180 K and visualized by electron microscopy
DOI: 10.1039/B511102C
PCCP Issue 17, 2005 Inside Cover
Peter Reiss et al., p3204. Reversible switching of tetraaniline ligands on the surface of CdSe nanocrystals between the semiconducting and the conducting state monitored by cyclic voltammetry and Raman spectroelectrochemistry.
DOI: 10.1039/B511103J
Ding Ma et al., p3102. MCM-22 hosted molybdenum catalyst, a novel reactor for catalytic methane conversion to benzene.
DOI: 10.1039/B502794B
PCCP Issue 16, 2005 Inside Cover
Yukiteru Katsumoto et al., p3005. Weakened and strengthened hydrogen bonding networks in water. The formation of one hydrogen bonding in a hydrogen-bonded chain cooperatively enhances or diminishes the strength of another hydrogen bond.
DOI: 10.1039/B510366p
David Klenerman et al., p2859. Combined high resolution topographic image of the surface of a live cell and fluorescence image of fluorophore-labelled virus-like particles, on the cell surface, obtained simultaneously using a scanned nanopipette and confocal microscopy.
DOI: 10.1039/B506743J
Li-Jun Zhao et al., p2695. Formation of contact ion pairs in the supersaturated solutions of NaClO4 aerosols, characterized by the attack of ClO4- upon hydrated Na+ with "surface" structures (bottom right) rather than "interior" structures (top left).
DOI: 10.1039/B505605E
PCCP Issue 14, 2005 Inside Cover
Manfred Kappes et al., p2816. Fractal C58 structures (upper left) and compact C60 islands (upper right) both deposited on HOPG.
DOI: 10.1039/B508859n
Oliver Steinbock et al., p2610. Bubble guidance of tubular growth in reaction-precipitation systems
DOI: 10.1039/B504407C
Katharina Krischer et al., p2429. A hierarchy of global coupling induced cluster patterns during the oscillatory H2-electrooxidation reaction on a Pt ring-electrode.
DOI: 10.1039/B502027A
Alexandre Ivanov et al., p2340. The "butterfly"-shaped experimental neutron scattering intensity map (colour) around the (100) Brillouin zone centre compared with the calculated Huang scattering profile (contour lines) in single crystal of the relaxor ferroelectric PbMg1/3Nb2/3O3.
DOI: 10.1039/B416454G
Maciej Gutowski et al., p2116. The most stable tautomers of anionic nucleic acid bases result from proton transfer from a nitrogen atom to a carbon atom. These new tautomers might affect the structure and properties of DNA and RNA.
DOI: 10.1039/B503745J
PCCP Issue 10, 2005 Inside Cover
Chi-Kung Ni et al., p2151. Time-sliced I+ ion image from the photolysis of I2+ at 532 nm
DOI: 10.1039/B505932c
César A. Barbero et al., p1885. Ion exchange at the electrode/electrolyte interface studied by probe beam deflection techniques.
DOI: 10.1039/B419382b
PCCP Issue 9, 2005 Inside Cover
Keisuke Tominaga et al., p1945. The low-frequency spectra of electron donor (hexamethylbenzene, D) and acceptor (tetracyanoethylene, A) complexes were investigated by terahertz (THz) time-domain spectroscopy in solutions and the crystalline states. The structure of the DA complex optimized by ab initio calculation is displayed.
DOI: 10.1039/B505123c
Arthur G. Suits et al., p1650. Slice images of O(1D) from ultraviolet dissociation of ozone probed with right and left circularly polarized light yield new insights into the dynamics of this dissociation process.
DOI: 10.1039/B502371H
PCCP Issue 8, 2005 Inside Cover
Neil Allan et al., p1839. Hyperdynamics calculations show the collapse of a step on a BaO surface due to an exchange of oxygen atoms in the terrace above it
DOI: 10.1039/B504292p
R. Graham Cooks et al., p.1490. An illustration of a linear ion trap generating microarrays through ion soft-landing.
DOI: 10.1039/B418056A
PCCP Issue 7, 2005 Inside Cover
Joost VandeVondele et al., p1363. The hydroxyl radical in solution acts as a good hydrogen bond donor and accepts 1-2 weaker hydrogen bonds on average. No strong interactions with the spin density (shown in green) have been observed. These results have been obtained using a novel self-interaction corrected density functional method.
DOI: 10.1039/B503299g
David Schiffrin et al., p1293. Confinement of an O2 reduction site by fullerene
DOI: 10.1039/B417928P
PCCP Issue 6, 2005 Inside Cover
Federico Pepi et al., p1181. The gas-phase protonation of SF5CF3, a potent new greenhouse gas recently discovered in stratospheric air samples, was studied by mass-spectrometric and ab initio theoretical methods. The reaction is essentially dissociative leading to the formation of HF, CF4 and SF3+ as main fragmentation products.
DOI: 10.1039/B502640g
Chih-Kai Lin et al., p938. Vibrational predissociation spectra of protonated water clusters H+(H2O)n, n=6-11. Around are several representative structures selected from the basin-hopping simulations with the OSS2 force field for n=9, 10 and 11.
DOI: 10.1039/B412281J
PCCP Issue 5, 2005 Inside Cover
Nobuhiro Okai et al., p921. Multiphoton ionization of the magnesium atom in Mg(NH3)4 to produce a multiply-charged ion using a femtosecond laser. The calculated structure of the one of most stable isomers of this cluster is shown at the bottom-left
DOI: 10.1039/B502137p
Bert M. Weckhuysen et al, p568. Two superimposed STEM-EELS images before (top) and after (bottom) reduction reveal that TiO2-supported Co-Mn particles (pink) transform into Co (red) and Mn (blue) particles.
DOI: 10.1039/B418286C
PCCP Issue 4, 2005 Inside Cover
Song Han et al., p651. Spatial distribution of desorbing CO2 in 193 nm photon-induced reactions in (O2+CO) adlayers on stepped Pt(112)=[(s)3(111)x(001)]. Oxygen molecules lie along the surface trough and emit high-energy atoms along their axis when the surface is exposed to ultra-violet light. This hot-atom oxygen attacks adsorbed CO, yielding inclined desorption of CO2 in the plane along the trough
DOI: 10.1039/B501411p
Daniel M. Neumark, p433. The process of anion photodetachment to investigate the transition state region of an exchange reaction between neutral molecules. The photoelectron image of ClD2- & the corresponding photoelectron spectrum are shown at the bottom-right, revealing the hindered rotor structure of the neutral van der Waals complex.
DOI: 10.1039/B417886F
Georges Wipff et al., p264. Molecular dynamics simulations on lanthanide cation extraction by malonamides show the formation of cylindrical or spherical water-in-oil "droplets" onto which the extractant molecules and their complexes adsorb.
DOI: 10.1039/B410137E
Klaus Mobius et al., p19. Protein systems with paramagnetic cofactors or site-specific nitroxide spin labels can be studied to molecular detail by high resolution EPR spectroscopy at increasing microwave frequencies and magnetic fields.
DOI: 10.1039/B412180E
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