RSC - Phys. Chem. Chem. Phys. latest articles
Sun Apr 24 04:39:19 EDT 2011
Home: http://xlink.rsc.org/jumptojournal.cfm?journal_code=CP
Feed: http://www.rsc.org/publishing/journals/rssfeed.asp?FeedType=LatestArticles&JournalCode=CP

Quantum mechanics/molecular mechanics methods can be more accurate than full quantum mechanics in systems involving dispersion correlations

Porous biomimetic membranes: fabrication, properties and future applications

Properties and behaviour of tetracyclic allopsoralen derivatives inside a DPPC lipid bilayer model

Acetyl group orientation modulates the electronic ground-state asymmetry of the special pair in purple bacterial reaction centers

Time resolved velocity map imaging of H-atom elimination from photoexcited imidazole and its methyl substituted derivatives

Large size, high efficiency fiber-shaped dye-sensitized solar cells

An equilibrium ab initio atomistic thermodynamics study of chlorine adsorption on the Cu(001) surface

A hybrid sol-gel synthesis of mesostructured SiC with tunable porosity and its application as a support for propane oxidative dehydrogenation

Potentially important nighttime heterogeneous chemistry: NO3 with aldehydes and N2O5 with alcohols

Recent progress in SERS biosensing

Analysis and control of ultrafast photon-induced processes

Halogen bonding to a divalent sulfur atom: an experimental study of the interactions of CF3X (X = Cl, Br, I) with dimethyl sulfide

The effect of phonon modes on the H2(v, j)/D2(v, j)-Cu(1nn) scattering processes

Tunable catalytic tubular micro-pumps operating at low concentrations of hydrogen peroxide

Optimization of chemical ordering in AgAu nanoalloys

On the nature of NiNi interaction in a model dimeric Ni complex

A multi-scale approach to spin crossover in Fe(ii) compounds

Quantifying the anisotropy of intermolecular potential energy surfaces: a critical assessment of available N2-N2 potentials

Hydrogen evolution via sunlight water splitting on an artificial butterfly wing architecture

Paramagnetic relaxation of nuclear singlet states

Complexity in molecular recognition

An ab initio study of ion induced charge transfer dynamics in collision of carbon ions with thymine

Revisiting isoreticular MOFs of alkaline earth metals: a comprehensive study on phase stability, electronic structure, chemical bonding, and optical properties of A-IRMOF-1 (A = Be, Mg, Ca, Sr, Ba)

Ab initio potential energy surface of CH+2 and reaction dynamics of H + CH+

Dynamic factors in the reactions between the magic cluster Al-13 and HCl/HI

Structuring of supported hybrid phospholipid bilayers on electrodes with phospholipase A2

Reconstructing protein remodeled membranes in molecular detail from mesoscopic models

The magnetic and electronic structure of vanadyl pyrophosphate from density functional theory

The kinetics of CO pathway in methanol oxidation at Pt electrodes, a quantitative study by ATR-FTIR spectroscopy

Influences of molecular packing on the charge mobility of organic semiconductors: from quantum charge transfer rate theory beyond the first-order perturbation

Insoluble surfactant spreading along thin liquid films confined by chemical surface patterns

Resonance Raman spectroscopy and density functional theory calculation study of photodecay dynamics of tetra(4-carboxyphenyl) porphyrin

Structure, morphology and interface properties of ultrathin SnTTBPP(OH)2-films adsorbed on Ag(100)

A novel reaction model for the electrical conductivity of ultra-thin TiO2 films in H2

Electronic structure of pyridine-based SAMs on flat Au(111) surfaces: extended charge rearrangements and Fermi level pinning

The self-assembly mechanism of fibril-forming silk-based block copolymers

Application of the electron density force to chemical reactivity

Electrostatic binding of oppositely charged surfactants to spherical polyelectrolyte brushes

Hydrogen bonding configuration and thermal stability of ambient exposed and in situ hydrogenated polycrystalline diamond surfaces studied by high resolution electron energy loss spectroscopy

Heating a bowl of single-molecule-soup: structure and desorption energetics of water-encapsulated open-cage [60] fullerenoid anions in the gas-phase

Vibrational properties of noble gas endohedral fullerenes

Implicit numerical schemes for the stochastic Liouville equation in Langevin form

Dynamical regimes of a pH-oscillator operated in two mass-coupled flow-through reactors

Quantum fluctuations increase the self-diffusive motion of para-hydrogen in narrow carbon nanotubes

Sizing the Ubbelohde effect: the rotational spectrum of a tert-butylalcohol dimer

Size control of PtPb intermetallic nanoparticles prepared via microemulsions

Strategies for increasing relaxivity of gold nanoparticle based MRI contrast agents

Interaction of DNA and a series of aromatic donor-viologen acceptor molecules with and without the presence of CB[8]

Laser pulse induced transient currents through a single molecule

Nanocapsule with pump for methane storage

Enhanced TiO2 surface electrochemistry with carbonised layer-by-layer cellulose-PDDA composite films

Substitutional and orientational disorder in organic crystals: a symmetry-adapted ensemble model

Collision-induced absorption in the O2 B-band region near 670 nm

Size and surface effects on the magnetic properties of NiO nanoparticles

Five isomers of monomeric cytosine and their interconversions induced by tunable UV laser light

Hybrid simulations: combining atomistic and coarse-grained force fields using virtual sites

Superstructure formation and variation in Ni-GDC cermet anodes in SOFC

Anisotropic light absorption by localized surface plasmon resonance in a thin film of gold nanoparticles studied by visible multiple-angle incidence resolution spectrometry

Band gap anomalies of the ZnM2IIIO4 (MIII = Co, Rh, Ir) spinels

Ion size effects on the electric double layer of a spherical particle in a realistic salt-free concentrated suspension

Isotopic exchange processes in cold plasmas of H2/D2 mixtures

A combined Raman- and infrared jet study of mixed methanol-water and ethanol-water clusters

Long-range energy transfer and ionization in extended quantum systems driven by ultrashort spatially shaped laser pulses

The enthalpies of formation of AsXn molecules, where X = H, F or Cl, and n = 1, 2 or 3, by RCCSD(T) and UCCSD(T)-F12x calculations

Experimental and theoretical study on molecular aggregation and its effect on the photo-physical properties of the mesogenic bi-1,3,4-thiadiazole derivative

Computational evidence for the substrate-assisted catalytic mechanism of O-GlcNAcase. A DFT investigation

Pathways for methanol steam reforming involving adsorbed formaldehyde and hydroxyl intermediates on Cu(111): density functional theory studies

Ion-transfer- and photo-electrochemistry at liquid|liquid|solid electrode triple phase boundary junctions: perspectives

Electronically excited states of membrane fluorescent probe 4-dimethylaminochalcone. Results of quantum chemical calculations

Molecular wheel to monocyclic ring transition in boron-carbon mixed clusters C2B6- and C3B5-

Is HO3 minimum cis or trans? An analytic full-dimensional ab initio isomerization path

Total radical yields from tropospheric ethene ozonolysis

Hydrogen adsorption on Ce/SWCNT systems: a DFT study

Using molecular simulation to predict solute solvation and partition coefficients in solvents of different polarity

Defect clustering and local ordering in rare earth co-doped ceria

Effects of all-atom force fields on amyloid oligomerization: replica exchange molecular dynamics simulations of the A[small beta]16-22 dimer and trimer

Mutual diffusion in binary mixtures of ionic liquids and molecular liquids by dynamic light scattering (DLS)

Electronic spectra and (hyper)polarizabilities of non-centrosymmetric D-A-D chromophores. An experimentally based three-state model and a theoretical TDDFT study of ketocyanines

Why is chemical synthesis and property optimization easier than expected?

Shape, flexibility and packing of proteins and nucleic acids in complexes

An analysis of two local measures of the electronic localization: a comparison with the ELF and the exchange-correlation density results

Photoinjection of hydrogen and the nature of a giant shift of the fundamental absorption edge in highly disordered V2O5 films

Bottom-up computational modeling of semi-crystalline fibers: from atomistic to continuum scale

Fluid to soft-glass transition in a quasi-2D system: thermodynamic and rheological evidences for a Langmuir monolayer

Molecular dynamics study of the hydration of the hydroxyl radical at body temperature

A semi-classical model of attosecond electron localization in dissociative ionization of hydrogen

Interaction of glucose with hemoglobin: a study in aqueous solution and at the air-water interface using the Langmuir-Blodgett technique

A 14N nuclear quadrupole resonance study of phase transitions and molecular dynamics in hydrogen bonded organic antiferroelectrics 55DMBP-H2ca and 1,5-NPD-H2ca

The structure of glycerol in the liquid state: a neutron diffraction study

Field-induced surface hopping method for probing transition state nonadiabatic dynamics of Ag3

The formation mechanism of cobalt silicide on silica from Co(SiCl3)(CO)4 by in situ Fourier transform infrared spectroscopy

A novel proton conductor of imidazole-aluminium phosphate hybrids in the solid state

Product rotational angular momentum polarization in the H + FCl(v = 0-5, j = 0, 3, 6, 9) [rightward arrow] HF + Cl reaction

Influence of n-hexanol and n-octanol on wetting properties and air entrapment at superhydrophobic surfaces

Charge, orbital and spin ordering in multiferroic BiMn2O5: density functional theory calculations

Short range hydrogen diffusion in Na3AlH6

Parametrically polarization shaped pulses guided via a hollow core photonic crystal fiber for coherent control

Exfoliated and reorganized graphite oxide on titania nanoparticles as an auxiliary co-catalyst for photocatalytic solar conversion

On the formation of ozone in oxygen-rich solar system ices via ionizing radiation

Barrier crossing dynamics of a charged particle in the presence of a magnetic field: A new turnover phenomenon