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Physical Chemistry Chemical Physics

An international journal for the fastest publication of high-quality original work in physical chemistry, chemical physics and biophysical chemistry.



PCCP Covers 2007


PCCP covers from 2007 are available for browsing here

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Cover image for PCCP Issue 48 2007 Inside Cover

PCCP Issue 48 2007 Inside Cover

Wang et al., p. 6313. Stepwise interfacial self-assembly of different inorganic nanoparticles via DNA base pairing leads to asymmetric nanoparticle multilayers at water/oil interfaces.
DOI: 10.1039/b718070p


Cover image for PCCP Issue 48, 2007

PCCP Issue 48, 2007

Gautier et al., p. 6199. Oil drops covered by latex particles. The interface coverage (drops densely or poorly covered) can be switched by the pH and the drop size can be tuned by the particle mass.
DOI: 10.1039/B718069C

Cover image for PCCP Issue 47, 2007

PCCP Issue 47, 2007

Wilkening et al., p. 6199. The Li+ jump rate 1/tNMR in Li4+xTi5O12 is directly measured by NMR and transformed via the Einstein-Smoluchowski equation into the microscopic diffusion coefficient DLi+.
DOI: 10.1039/B717648C

Cover image for PCCP Issue 46 2007 Inside Cover

PCCP Issue 46 2007 Inside Cover

Corzilius et al., p. 6063. Spin active N@C60 in carbon nanotubes.
DOI: 10.1039/B717329F


Cover image for PCCP Issue 46, 2007

PCCP Issue 46, 2007

Heider et al., p. 6083. SSNMR is utilized to characterize two unique paclitaxels per asymmetric unit. Conformers correspond to like-colored spectral peaks; superimposed on an image of the pacific yew tree.
DOI: 10.1039/B717248F

Cover image for PCCP Issue 45, 2007

PCCP Issue 45, 2007

Diakowski and Ding, p.5966. Time lapse 3D images performed by AC-SECM demonstrate COS-7 cell reaction to an induced respiratory burst in cell culture medium.
DOI: 10.1039/b711083a

Cover image for PCCP Issue 45 2007 Inside Cover

PCCP Issue 45 2007 Inside Cover

Suzuki et al., p. 5980. An experiment of IRMS-TPD on ammonia determined the sites of four kinds of non-equivalent Bronsted OH on H-CHA zeolite and the heat of ammonia adsorption on the sites as an index of acid strength.
DOI: 10.1039/b716872c


Cover image for PCCP Issue 44, 2007

PCCP Issue 44, 2007

Tozer et al., p.5880. The picture presents the singly occupied molecular orbitals of adenine and guanine anions, illustrating the binding of the excess electron by a potential wall.
DOI: 10.1039/b711428a

Cover image for PCCP Issue 44, 2007 Inside Cover

PCCP Issue 44, 2007 Inside Cover

Cooke et al., p. 5897. Oxygen-17 hyperfine structures in pure rotational spectra have been observed for several metal-containing molecules prepared in a laser ablation source.
DOI: 10.1039/b716414a

Cover image for PCCP Issue 43, 2007

PCCP Issue 43, 2007

Benniston, p. 5739. An example of a molecular system developed in an attempt to harness solar energy for artificial photosynthesis as part of the general effort to mimic the natural processes that plants use in photosynthesis.
DOI: 10.1039/b708166a


Cover image for PCCP Issue 43, 2007 Inside Cover

PCCP Issue 43, 2007 Inside Cover

Khriachtchev et al., p. 5748. Our results demonstrate a unique process of molecular conformational change promoted by photoexcitation of the host.
DOI: 10.1039/b715987k

Cover image for PCCP Issue 42, 2007

PCCP Issue 42, 2007

Xiangyang Shi et al., p. 5712. Iron oxide nanoparticles stabilized by carboxyl-terminated dendrimers are stable and can be uptaken by cancer cells in vitro.
DOI: 10.1039/b709147h

Cover image for PCCP Issue 42, 2007 Inside Cover

PCCP Issue 42, 2007 Inside Cover

Muthupandian Ashokkumar and Franz Grieser, p 5631. The stimulated growth of bubble nuclei and clustering of bubbles over several compression and rarefaction cycles of a sound wave passing through a fluid (centre), coalescence (top) and non-coalescence (bottom).
DOI: 10.1039/b715654p


Cover image for PCCP Issue 41, 2007

PCCP Issue 41, 2007

Onishi & Nomoto, p. 5515. Vibrations are coherently excited via a stimulated Raman transition and interface-selectively observed as the modulated efficiency of second harmonic generation.
DOI: 10.1039/b704566m

Cover image for PCCP Issue 40, 2007

PCCP Issue 40, 2007

Le Bideau et al., p. 5419. Effect of confinement on ionic liquids dynamics in monolithic silica ionogels: 1H NMR study.
DOI: 10.1039/b711539c

Cover image for PCCP Issue 40, 2007 Inside Cover

PCCP Issue 40, 2007 Inside Cover

Vaara, p. 5399. Modern NMR modelling requires a combination of several computational paradigms. 129Xe shielding in a simulated model liquid crystal.
DOI: 10.1039/b714846c


Cover image for PCCP Issue 39, 2007

PCCP Issue 39, 2007

Hermans et al., p. 5382. Immobilisation of size-tunable colloids opens new horizons for the synthesis of supported catalysts.
DOI: 10.1039/b706601e

Cover image for PCCP Issue 39, 2007 Inside Cover

PCCP Issue 39, 2007 Inside Cover

Wyslouzil, p. 5353. The growth of highly subcooled water nanodroplets is measured on micro-second time scales using small angle x-ray scattering.
DOI: 10.1039/b714565a

Cover image for PCCP Issue 38, 2007

PCCP Issue 38, 2007

Harriman et al., p. 5199. Rapid energy transfer between dye fragments creates an exceptionally photostable species for use as a far-red fluorescence sensor.
DOI: 10.1039/b709358f


Cover image for PCCP Issue 38, 2007 Inside Cover

PCCP Issue 38, 2007 Inside Cover

Kralchevsky et al., p. 5183. The layer-by-layer thinning of a liquid film containing surfactant micelles (left) engenders oscillations of the disjoining pressure and interaction energy between two emulsion droplets (right).


DOI: 10.1039/b714099c

Cover image for PCCP Issue 37, 2007

PCCP Issue 37, 2007

van der Spoel & Caleman, p. 5105. Water cluster with ions exploding due to Coulomb interaction.
DOI: 10.1039/b706243e

Cover image for PCCP Issue 37, 2007 Inside Cover

PCCP Issue 37, 2007 Inside Cover

Astumian, p. 5067. A molecular motor is best described as an object in mechanical equilibrium undergoing a random walk on a lattice of states that are distinguished from one another by differing spatial positions within a period and by differing chemical substituents.
DOI: 10.1039/b713619f


Cover image for PCCP Issue 36, 2007

PCCP Issue 36, 2007

Carter et al., p. 4951. Cutout of bulk fcc aluminium showing vacancies aggregating into next-nearest neighbour chains. (Atoms near vacancies are highlighted for clarity).
DOI: 10.1039/b705455f

Cover image for PCCP Issue 36, 2007 Inside Cover

PCCP Issue 36, 2007 Inside Cover

Grassian et al., p. 4970. Calculated frequencies of binuclear Al cluster modes explain changes in coordination and FTIR spectra of adsorbed nitrate as an f(RH).
DOI: 10.1039/b713303k

Cover image for PCCP Issue 35, 2007

PCCP Issue 35, 2007

Cooke et al., p. 4895. Pure rotational spectroscopists turn their attention to actinide chemistry.
DOI: 10.1039/b709343h


Cover image for PCCP Issue 35, 2007 Inside Cover

PCCP Issue 35, 2007 Inside Cover

Kontturi et al., p. 4898. Conformational changes brought about by photoisomerisation accelerate electron transfer through an azobenzene-containing SAM.
DOI: 10.1039/b712578j

Cover image for PCCP Issue 34, 2007

PCCP Issue 34, 2007

Ohashi et al., p. 4793. Gas-phase Cu+(NH3)3 ion prefers the tri-coordinated structure but the di-coordinated isomer is of growing importance until becoming predominant in Cu+(NH3)8.
DOI: 10.1039/b705267g

Cover image for PCCP Issue 34, 2007 Inside Cover

PCCP Issue 34, 2007 Inside Cover

Tiggesbäumker & Stienkemeier, p. 4748. Probability to generate ultracold clusters (here Na3) in small helium nanodroplets.
DOI: 10.1039/b712219p


Cover image for PCCP Issue 33, 2007

PCCP Issue 33, 2007

Beukes et al., p. 4709. The taurine molecule and a sample under combined exposures on the Swiss-Norwegian Beamlines at ESRF.
DOI: 10.1039/b703000b

Cover image for PCCP Issue 33, 2007 Inside Cover

PCCP Issue 33, 2007 Inside Cover

Habasaki & Ngai, p. 4673. Mixed alkali effect investigated by molecular dynamics simulations. Figure shows an instantaneous structure and density profiles for all ions in the LiKSiO glass at 700 K.
DOI: 10.1039/b711819h

Cover image for PCCP Issue 32, 2007

PCCP Issue 32, 2007

Mons et al., p. 4491. gamma-turn helicity revealed by a neighbouring chromophore residue along a peptide chain.
DOI: 10.1039/b704573e


Cover image for PCCP Issue 32, 2007 Inside Cover

PCCP Issue 32, 2007 Inside Cover

Ebata et al., p. 4452. Laser apectroscopic study reveals detailed structures of the encapsulation of a water molecule by benzo-18-crown-6-ether and dibenzo-18-crown-6-ether in supersonic jets.
DOI: 10.1039/b711386m

Cover image for PCCP Issue 31, 2007

PCCP Issue 31, 2007

Taatjes et al., p. 4315. Combined computational and experimental investigation of the cyclohexyl + O2 reaction illuminates key steps for autoignition of cyclic alkanes.
DOI: 10.1039/b705934e

Cover image for PCCP Issue 30, 2007

PCCP Issue 30, 2007

Herrmann, p. 3935. A look into the aqueous phase laboratory of the Chemistry Department at IfT Leipzig and a comparison of IID model results and measurements.
DOI: 10.1039/b618565g


Cover image for PCCP Issue 29, 2007

PCCP Issue 29, 2007

Maier et al., p. 3897. Generation of AICCH, a molecule of astronomical interest, in a supersonic beam and the detection of its electronic spectrum.
DOI: 10.1039/b706384a

Cover image for PCCP Issue 28, 2007

PCCP Issue 28, 2007

Takezoe et al., p. 3671. The phenomenon of circularly-polarized-light (CPL)-induced chirality in polymeric systems with photochromophores in their side-chain or main-chain are reviewed.
DOI: 10.1039/b702835k

Cover image for PCCP Issue 28, 2007 Inside Cover

PCCP Issue 28, 2007 Inside Cover

Wipff & Sieffert, p. 3763. Fluorinated lipophilic alcohols promote the extraction of Cs+ NO3- salts by calixarenes by solvating the anions and forming water/oil microemulsions.
DOI: 10.1039/b709780h


Cover image for PCCP Issue 27, 2007

PCCP Issue 27, 2007

Oosterbeek, p. 3570. Plant and surface science results meet by bridging the pressure and material gap in heterogeneous catalysis.
DOI: 10.1039/b703003g

Cover image for PCCP Issue 27, 2007 Inside Cover

PCCP Issue 27, 2007 Inside Cover

Kiskinova et al., p. 3648. Oxide and metallic Ru pre-catalysts evolving into the same transient RuOx active state during methanol oxidation reactions.
DOI: 10.1039/b709394m

Cover image for PCCP Issue 26, 2007

PCCP Issue 26, 2007

Abel & Charvat, p. 3335. The image shows a high speed image of the laser induced liquid dispersion and ion desorption in the IR-FL-MALDI process. After the laser impact charged nano-droplets release charged (protonated or deprotonated) ions after water evaporation which are in turn analyzed via time-of-flight mass spectrometry.
DOI: 10.1039/b615114k


Cover image for PCCP Issue 26, 2007 Inside Cover

PCCP Issue 26, 2007 Inside Cover

Zagal et al., p. 3383. A Co macrocycle interacting with an extra-planar thiol: its reactivity can be finely tuned by modulating the macrocyclic redox potential.
DOI: 10.1039/b708956m

Cover image for PCCP Issue 25, 2007

PCCP Issue 25, 2007

Lim et al., p. 3206. Photophysics of covalently modified pyrimidine bases provide compelling evidence for the likely origin of ultrafast internal conversion of nucleobases.
DOI: 10.1039/b704001f

Cover image for PCCP Issue 25, 2007 Inside Cover

PCCP Issue 25, 2007 Inside Cover

van Bokhoven et al., p. 3312. The reduction of supported Au3+ species and the simultaneous formation of gold clusters depend on the support and conditions.
DOI: 10.1039/b708625n


Cover image for PCCP Issue 24, 2007

PCCP Issue 24, 2007

Gregoire et al., p. 3082. The gas phase conformational space of protonated peptides is investigated using a combination of Infrared Multiphoton Dissociation experiments and 300 K Car-Parrinello molecular dynamics simulations.
DOI: 10.1039/b618094a

Cover image for PCCP Issue 23, 2007

PCCP Issue 23, 2007

Etchegoin et al., p. 3006. Statistics of single molecule SERS signals: Is there a Poisson distribution of intensities?
DOI: 10.1039/b704013j

Cover image for PCCP Issue 22, 2007

PCCP Issue 22, 2007

Chen et al., p. 2779. Simulations for a ternary system demonstrate a complex vapour-liquid nucleation mechanism, where critical nuclei with different compositions and structures coexist.
DOI: 10.1039/b705385a


Cover image for PCCP Issue 22, 2007 Inside Cover

PCCP Issue 22, 2007 Inside Cover

Abascal & Vega, p. 2775. The correlation between the melting temperatures of hexagonal ice and the dipole and quadrupole moments is analysed for popular water models.
DOI: 10.1039/b707428j

Cover image for PCCP Issue 21, 2007

PCCP Issue 21, 2007

Elliott & Paddison, p. 2602. A schematic representation of multi-scale morphology in PFSA membranes, from density fluctuations of ionic material at  the mesoscale down to a single protonated water cluster.
DOI: 10.1039/b701234a

Cover image for PCCP Issue 20, 2007

PCCP Issue 20, 2007

Zerbetto & Lugli, p. 2447. Bubble dynamics in liquids have been described from a macroscopic and microscopic perspective.
DOI: 10.1039/b700766c


Cover image for PCCP Issue 20, 2007 Inside Cover

PCCP Issue 20, 2007 Inside Cover

Digne et al., p. 2577. Structural investigation of sodium exchanged gamma-alumina surfaces, using vibrational spectroscopy and ab initio calculations
DOI: 10.1039/b706702j

Cover image for PCCP Issue 19, 2007

PCCP Issue 19, 2007

Ariga et al., p. 2319. The cover image depicts sequential solution dipping for nano-layered films with designer sequences. That's layer-by-layer assembly!
DOI: 10.1039/b700410a

Cover image for PCCP Issue 18, 2007

PCCP Issue 18, 2007

Doye et al., p. 2197. The ease with which crystallization occurs is sensitive to frustration, where the preferred local order is incompatible with global crystalline order.
DOI: 10.1039/b614955c


Cover image for PCCP Issue 17, 2007

PCCP Issue 17, 2007

Hirst et al., p. 2020. Ab initio electrostatic potentials of amide electronic excitations are central to improving calculations of protein electronic circular and linear dichroism.
DOI: 10.1039/b615870f

Cover image for PCCP Issue 16, 2007

PCCP Issue 16, 2007

Kaiser et al., p. 1972. The high temperature chemistry of carbon clusters in combustion flames can lead to resonantly stabilized free hydrocarbon radicals such as H2CCCCCCH.
DOI: 10.1039/b618179a

Cover image for PCCP Issue 16, 2007 Inside Cover

PCCP Issue 16, 2007 Inside Cover

Cramb et al., p. 1870. Two-photon excitation rate dependant quantum dot blinking measured by fluorescence correlation spectroscopy.
DOI: 10.1039/b704673c


Cover image for PCCP Issue 15, 2007

PCCP Issue 15, 2007

Kano et al., p. 1793. A simple enzyme-based biofuel cell generates electricity by the oxidation of D-fructose (in fruits) and the reduction of dioxygen (in air).
DOI: 10.1039/b617650j

Cover image for PCCP Issue 15, 2007 Inside Cover

PCCP Issue 15, 2007 Inside Cover

Wasylishen et al., p. 1850. Investigating fuel cell performance as a function of water density and distribution in an operating PEMFC using NMR microscopy.
DOI: 10.1039/b704355b

Cover image for PCCP Issue 14, 2007

PCCP Issue 14, 2007

Hegmann & Kaznacheev, p. 1705. A detailed insight into the ordering and defct formation in SmAb phases.
DOI: 10.1039/b616010g


Cover image for PCCP Issue 13, 2007

PCCP Issue 13, 2007

Fayer et.al., p. 1533. The ultrafast infrared vibrational echo pulse sequence generates two-dimensional spectra, providing dynamical and structural information for proteins and molecular systems.
DOI: 10.1039/b618158a

Cover image for PCCP Issue 12, 2007

PCCP Issue 12, 2007

Guldi, p. 1400. Through pi-pi and coulomb interactions, complex formation is obtained of water-soluble SWNT grafted with 1-(trimethylammonium acetyl) pyrene and water-soluble porphyrins, en route to versatile donor-acceptor nanohybrids.
DOI: 10.1039/b617684b

Cover image for PCCP Issue 12, 2007 Inside Cover

PCCP Issue 12, 2007 Inside Cover

Areán et al., p. 1421. Periodic porous solids (zeolite FER shown as archetype) are under active research as potential candidates for reversible hydrogen storage and transport; adsorbed hydrogen molecules shown in dark blue.
DOI: 10.1039/b703100a


Cover image for PCCP Issue 11, 2007

PCCP Issue 11, 2007

Dresselhaus et al., p. 1276. The panels map the G-band and disorder-induced D-band intensities of a graphite sample. The D-band is localized at the edges.
DOI: 10.1039/b613962k

Cover image for PCCP Issue 11, 2007 Inside Cover

PCCP Issue 11, 2007 Inside Cover

Donaldson et al., p. 1362. Nitric acid uptake causes a transient decrease in surface pH of an uncoated water surface, which is absent on coated interfaces.
DOI: 10.1039/b702682j

Cover image for PCCP Issue 10, 2007

PCCP Issue 10, 2007

Ebata et al., p. 1170. Picosecond IR-UV pump-probe spectroscopy reveals a detailed mechanism of the relaxation of OH stretching vibration of aromatic molecules and their clusters in supersonic beams.
DOI: 10.1039/b614895f


Cover image for PCCP Issue 10, 2007 Inside Cover

PCCP Issue 10, 2007 Inside Cover

Wasylishen et al., p. 1226. Solid-state NMR investigations of quadrupolar nuclei, such as 55Mn, are greatly facilitated by performing measurements at the highest possible magnetic field strengths.
DOI: 10.1039/b702370g

Cover image for PCCP Issue 9, 2007

PCCP Issue 9, 2007

O'Keeffe et al., p. 1035. Tilings, such as the one shown for the net of the zeolite paulingite, allow a systematic classification of crystal nets.
DOI: 10.1039/b615006c

Cover image for PCCP Issue 9, 2007 Inside Cover

PCCP Issue 9, 2007 Inside Cover

van Erp et al., p. 1044. Transition Interface Sampling (TIS) generates trajectories across free energy barriers to simulate realistic reaction rates.
DOI: 10.1039/b701974m


Cover image for PCCP Issue 8, 2007

PCCP Issue 8, 2007

Herrmann et al., p. 958. The experimental setup to study nitrate radical (NO3) reactions in aqueous solution using White cell optics and a compact solid state laser (I = 632 nm). Optical pathlength is d = 192 cm with 32 passes.
DOI: 10.1039/b613956f

Cover image for PCCP Issue 8, 2007 Inside Cover

PCCP Issue 8, 2007 Inside Cover

Ong & Tok, p. 991. Real time STM showing a configuration dependent critical nuclei (i = 7) during the self assembly of Co-Si magic clusters.
DOI: 10.1039/b701516j

Cover image for PCCP Issue 7, 2007

PCCP Issue 7, 2007

Schwentner et al., p. 779. Halogen molecule occupying a double substitutional site of a rare gas crystal. The light beams represent pump and probe laser pulses.
DOI: 10.1039/b609058n


Cover image for PCCP Issue 7, 2007 Inside Cover

PCCP Issue 7, 2007 Inside Cover

Foldvari et al, p. 871. Aggregation properties of gemini surfactants with spacers having aza-groups designed for DNA transfection show unusual pre-micelle behaviour.
DOI: 10.1039/b701163f

Cover image for PCCP Issue 6, 2007

PCCP Issue 6, 2007

Hermans et al., p. 686. The reactivity of nitoxyl radicals does not solely determine the catalytic autoxidation efficiency; their equilibrium with alkylperoxyl radicals is equally important!
DOI: 10.1039/b616392k

Cover image for PCCP Issue 5, 2007

PCCP Issue 5, 2007

Wataru Shinoda et al., p. 643. Disordered and entangled highly branched chains of the archaeal lipids enhance the structural and dynamic stability of the membrane.
DOI: 10.1039/b611543h


Cover image for PCCP Issue 4, 2007

PCCP Issue 4, 2007

Smith & Wang, p. 452. First principle approach modelling the electronic ground state proton chain transfer pathway between GFP chromophore and protein matrix in terms of a minimal quantum chemical model that mimics the participating groups along the proton wire.
DOI: 10.1039/b612760f

Cover image for PCCP Issue 4, 2007 Inside Cover

PCCP Issue 4, 2007 Inside Cover

Shapter et al, p. 510. AFM image (1µm x 1µm) of vertically-aligned single walled carbon nanotubes attached directly to a silicon substrate.
DOI: 10.1039/b618602p

Cover image for PCCP Issue 3, 2007

PCCP Issue 3, 2007

de Vivie-Riedle et al, p. 369. Bimodal vibrational population distribution in carbonyl-complexes generated by chirped mid-infrared femtosecond laser pulses permitting reaction control.
DOI: 10.1039/b612286h


Cover image for PCCP Issue 3, 2007 Inside Cover

PCCP Issue 3, 2007 Inside Cover

Ghandi et al, p. 353. Interface of muon spin and laser spectroscopy for study of chemical dynamics in excited states.
DOI: 10.1039/b618234h

Cover image for PCCP Issue 2, 2007

PCCP Issue 2, 2007

Liu & Woodson, p. 207. Some examples of surface chemistry nanopatterns functionalized by secondary processes are shown with a schematic diagram.
DOI: 10.1039/b610651j

Cover image for PCCP Issue 1, 2007

PCCP Issue 1, 2007

Bartlett et al, p. 104. A droplet of water on a nanostructured gold surface. Precise control over the structure allows it to be tuned for NIR SERS.
DOI: 10.1039/b611803h