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Nesbitt et al., p. 6592. Phenyl radical, generated in a slit-jet cooled supersonic discharge source, has been studied via high resolution infrared spectroscopy, wherein a rotationally resolved spectrum (R branch depicted here) of its out of phase symmetric CH stretch was obtained. Photograph taken by Theodore J. Reber.
DOI: 10.1039/b813256a
PCCP Issue 44 2008 Inside Cover
Jang et al., p. 6703. Excited-state proton-transfer dynamics of 1-methyl-6-hydroxyquinolinium embedded in a solid matrix of poly(2-hydroxyethyl methacrylate).
DOI: 10.1039/b818760f
Wan et al., p. 6467. STM investigation of Structural Transition of Molecular Assembly on Solid Surface under Photoirradiation.
DOI: 10.1039/b810304f
van der Spoel et al., p. 6344. Laser induced melting of ice and predicted X-ray scattering.
DOI: 10.1039/b807550f
Ebata et al., p. 6238. Growth of the hydrogen-bonding network by water molecules inside the crown cavity has been reveled by the supersonic jet and laser spectroscopic study.
DOI: 10.1039/b807113f
PCCP Issue 41 2008 Inside Cover
Champagne et al., p. 6223. Photo-triggered spiropyran-merocyanine switches display large second-order NLO contrasts.
DOI: 10.1039/b817258g
Etchegoin and Le Ru, p. 6079. Single-molecule Raman event at an interstitial site in metallic colloids: An incident (green) photon is scattered into a lower energy one (red) thus leaving a vibration in the molecule.
DOI: 10.1039/b809196j
PCCP Issue 40 2008 Inside Cover
Shleev et al., p. 6093. A principal scheme of a compartment-, mediator-, cofactor-less glucose/O2 biofuel cell based on adsorbed Dichomera saubinetii cellobiose dehydrogenase and Trametes hirsuta laccase as anodic and cathodic bioelement, respectively.
DOI: 10.1039/b816778h
Palomar et al., p. 5967. The non-ideal polarity behaviour of the solvent mixture dimethylsulfoxide-chloroform is illustrated by COSMO-RS polar electronic charge of their components.
DOI: 10.1039/B807617K
Morita and Ishiyama, p. 5801. The artwork illustrates the theoretical concept of sum frequency generation spectroscopy at interfaces, indicating that the sum frequency signal can be calculated based on the time correlation formula in the artwork
DOI: 10.1039/B808110G
Wingen et al., p. 5668. Nitrate ion photolyzes to produce NO2, a process which is enhanced in the presence of chloride. The probability density profiles for an aqueous NaCl-NaNO3 mixture are shown over a background of ocean photos to depict the influence of nitrate in aged sea salt aerosols.
DOI: 10.1039/b806613b
PCCP Issue 37 2008 Inside Cover
Blumberger, p. 5651. Free energies for biological electron transfer from QM/MM calculation: method, application and critical assessment
DOI: 10.1039/b815031c
Pirani et al., p. 5489. Probing intermolecular potentials by differential and integral cross section measurements in high-resolution molecular beam experiments.
DOI: 10.1039/b808524b
PCCP Issue 36 2008 Inside Cover
Chilukoti et al., p. 5510. Infrared studies of Br-HBr entrance channel complexes trapped in quantum matrices of molecular hydrogen.
DOI: 10.1039/b814573n
See Zhou et al., pp. 5445. Sequential H2 dissociative chemisorption on Pd6 cluster. The symmetry of Pd6 HOMO matches with the symmetry of H2 LUMO, leading to H2 bond dissociation and H chemisorption on the cluster.
DOI: 10.1039/B804877K
See Weck et al., pp. 5184. Dimer-induced stabilization of H adsorbate cluster on BN(0001) surface.
DOI: 10.1039/B809081P
Maiti et al., p. 5050. Fluoride Ionic Liquid, as a novel super-efficient solvent can lead to high-quality single crystals of technologically important materials.
DOI: 10.1039/b805169k
PCCP Issue 33 2008 Inside Cover
Tominaga et al., p. 5042. A pressure-induced structural change of poly-L-lysine from an a-helix to a b-sheet structure occurs for a lyophilized sample.
DOI: 10.1039/b813300j
Fuchs et al., p. 4817. Water condensation in the nanopores of a hydrophobic zeolite crystal. The empty and filled states correspond to two stable states in the free energy landscape.
DOI: 10.1039/b807471b
Endres et al., p. 4650. The semiconductor SixGe1-x has been synthesized by electrochemical means in an ultrapure ionic liquid. Due to a quantum size effect the material shows different colours, indicative of light absorption between at least 1,5 and 3,2 eV.
DOI: 10.1039/b806996b
Haranczyk et al., p. 4442. Accelerated QM/MM approach is developed and employed to predict the solvation free energies of the most stable anionic tautomers of uracil.
DOI: 10.1039/b802300j
PCCP Issue 30 2008 Inside Cover
Kawamata et al., p. 4378. Product pair-correlated dynamics was imaged in a crossed-beam scattering experiment on the reaction of Cl atom with a mode-selective CH4(v3=1) reactant.
DOI: 10.1039/b811847g
Klapotke and Stierstorfer, p. 4340. Triaminoguanidinium dinitramide (TAGDN) represents a modern "green" high explosive with great performance combining high nitrogen and oxygen contents.
DOI: 10.1039/b804504F
Blackie et al., p. 4147. Bi-analyte SERS with isotpically labelled dyes.
DOI: 10.1039/b810825k
PCCP Issue 28 2008 Inside Cover
Tsukruk et al., p. 4093. Mechanical properties of composite polymer microstructures fabricated by interference lithography
DOI: 10.1039/b810826a
Woodward et al., p. 4020. Tracking the composition of freely diffusing radical pairs using magnetic fields.
DOI: 10.1039/B719454D
PCCP Issue 27 2008 Inside Cover
Campagna et al., p. 3982. A Pt(II) polypyridine-bodipy complex in which the Pt-based 3MLCT emission is quenched by EnT to the emitting bodipy triplet.
DOI: 10.1039/B810377C
Choi et al., p. 3839. Two-dimensional nonlinear optical activity spectroscopy of coupled multi-chromophore system.
DOI: 10.1039/B719263K
PCCP Issue 26 2008 Inside Cover
Brouwer et al., p. 3857. NMR crystallography of p-tert-butylcalix[4]arene host-guest complexes using 1H complexation-induced chemical shifts.
DOI: 10.1039/B809927H
Otani et al., p. 3609. Structure of the water-platinum interface - a first principles simulation under bias potential
DOI: 10.1039/B803541e
PCCP Issue 25 2008 Inside Cover
Rossmeisl et al., p. 3722. Surface Pourbaix Diagrams and Oxygen Reduction activity of Pt, Ag and Ni (111) surfaces studied by DFT.
DOI: 10.1039/b809425j
Butler et al., p. 3548. Molecular dynamics simulations of DiI-C18(3) in a DPPC lipid bilayer
DOI: 10.1039/B716979e
Werner et al., p. 3353. Local and density fitting approximations within the short-range/long-range hybrid scheme: application to large non-bonded complexes
DOI: 10.1039/B804672g
Zhong et al., p. 3244. Molecular simulation of hydrogen diffusion in interpenetrated metal-organic frameworks
DOI: 10.1039/B801494a
Inoue et al., p. 3052. Coordination structures of the silver ion: infrared photodissociation spectroscopy of Ag+(NH3)n (n = 3-8)
DOI: 10.1039/B802050g
PCCP Issue 21 2008 Inside Cover
Starr et al., p. 3093. A combined droplet train and ambient pressure photoemission spectrometer for the investigation of liquid/vapor interfaces
DOI: 10.1039/b807464j
Zewail and Shorokov, p. 2879. 4D electron imaging: principles and perspectives
DOI: 10.1039/B801626g
PCCP Issue 20 2008 Inside Cover
Frankcombe and Nyman, p.3000. Statistical modelling of NH+/ND+ + H2/HD/D2 branching ratios
DOI: 10.1039/B807010p
Arnstein and Sherrill, p. 2646. Substituent effects in parallel-displaced - interactions
DOI: 10.1039/B718742d
PCCP Issue 19 2008 Inside Cover
De Vries et al., p.2819. Non-standard base pairing and stacked structures in methyl xanthine clusters
DOI: 10.1039/B806488c
Kloo et al., p. 2488. Structural effects of Cu(II)-coordination in the octapeptide region of the human prion protein
DOI: 10.1039/b717988j
PCCP Issue 18 2008 Inside Cover
Chattaraj et al., p. 2461. Aromaticity in cyclic alkali clusters
DOI: 10.1039/b806110f
Liu et al., p. 2302. Efficient modification of Cu electrode with nanometer-sized copper tetracyanoquinodimethane for high performance organic field-effect transistors
DOI: 10.1039/b718935d
Tuttle and Theil, p. 2159. OMx-D: semiempirical methods with orthogonalization and dispersion corrections. Implementation and biochemical application
DOI: 10.1039/b718795e
PCCP Issue 16 2008 Inside Cover
Ewles et al., p. 2145. Oxidation and reactivity of nitrogen- and phosphorus-doped heterofullerenes
DOI: 10.1039/b805129c
Miyamae et al., p. 2010. First acid dissociation at an aqueous H2SO4 interface with sum frequency generation spectroscopy
DOI: 10.1039/b719496j
PCCP Issue 15 2008 Inside Cover
Pagliaro et al., p. 2026. The grounds for the activity of TPAP in oxidation catalysis in supercritical carbon dioxide when confined in hybrid fluorinated silica matrices
DOI: 10.1039/b804774j
Morgenstern et al., p. 1916. Electron-induced isomerisation of dichlorobenzene on Cu(111) and Ag(111)
DOI: 10.1039/b718847a
Song et al., p. 1739. PEG-ylated cationic CdSe/ZnS QDs as an efficient intracellular labeling agent
DOI: 10.1039/b801317a
PCCP Issue 13 2008 Inside Cover
Hillier et al., p. 1734. High level ab initio and DFT calculations of models of the catalytically active Ni-Fe hydrogenases
DOI: 10.1039/b803860k
Denkov et al., p.1608. Comparison of solid particles, globular proteins and surfactants as emulsifiers
DOI: 10.1039/B715933C
Camacho et al., p.1569. Dis-aggregation of an insoluble porphyrin in a calixarene matrix: characterization of aggregate modes by extended dipole model.
DOI: 10.1039/B717737B
Pierini et al., p.1394. Species with negative electron affinity and standard DFT methods Finding the valence anions
DOI: 10.1039/B716625G
PCCP Issue 10 2008 Inside Cover
Felui et al., p.1350. Surface characterization of platinum electrodes
DOI: 10.1039/B802510J
Espinosa-Garcia, p. 1277. Theoretical rate constants and kinetic isotope effects in the reaction of methane with H, D, T, and Mu atoms.
DOI: 10.1039/B714489J
PCCP Issue 9 2008 Inside Cover
Deschamps et al., p. 1298. Spin-counting NMR experiments for the spectral editing of structural motifs in solids.
DOI: 10.1039/b802201c
Gerber and Miller, p. 1091. Dynamics of proton recombination with NO3- anion in water clusters
DOI: 10.1039/b717338p
PCCP Issue 8 2008 Inside Cover
Laskin et al., p. 1079. Soft-landing of peptide ions onto self-assembled monolayer surfaces: an overview
DOI: 10.1039/b801720b
PCCP Issue 7 2008 Inside Cover
Freyland, p. 923. Interfacial phase transitions in conducting fluids.
DOI: 10.1039/b801326h
Cavallini et al., p. 784. Single molecule magnets: from thin films to nano-patterns.
DOI: 10.1039/B711677B
von Vacano and Motzkus, p. 681. Time-resolving molecular vibration for microanalytics: single laser beam nonlinear Raman spectroscopy in simulation and experiment.
DOI: 10.1039/B715391K
Finlayson-Pitts et al., p. 528. A new mechanism for ozonolysis of unsaturated organics on solids: phosphocholines on NaCl as a model for sea salt particles.
DOI: 10.1039/b712715d
PCCP Issue 4 2008 Inside Cover
Chen and Nellas, p. 506. Towards understanding the nucleation mechanism for multi-component systems.
DOI: 10.1039/b719602b
Sanchez de Meras et al., p. 361. Variation of polarizability in the [4n+2] annulene series: from [22]- to [66]-annulene.
DOI: 10.1039/b713459b
Boldyrev et al., p. 257. The molecular orbitals (right side, from the bottom to the top) responsible for the triple aromaticity in triatomic transition metal clusters on the background of the part of the Periodic Table representing transition metals.
DOI: 10.1039/b713646c
Bisquert, p.49. Zinc oxide conducting wires grown perpendicular to a substrate by electrodeposition. The wires have hexagonal section 300 nanometer wide and are 8 micrometer long.
DOI: 10.1039/b709316k
PCCP Issue 1 2008 Inside Cover
Taatjes et al., p. 20. Application of multiplexed tunable photoionization mass spectrometry allows flame chemistry and chemical kinetics measurements to be depicted in isomeric detail.
DOI: 10.1039/b718406a
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