Journal cover: Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics

High quality research in physical chemistry, chemical physics and biophysical chemistry.
Impact Factor 4.198 48 Issues per Year Indexed in MEDLINE and Web of Science
 
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Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP03401E, Paper
The primary step of the near UV photophysics of a phenylalanine residue is investigated in one- and two-color pump-probe R2PI nanosecond experiments carried out on specific conformers of the Ac-Gly-Phe-NH2...
 
Marie-Aline Martin-Drumel, Olivier Pirali, Cyril Falvo, Pascal Parneix, Antonio Gamboa, Florent Calvo and Philippe Bréchignac
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP03278K, Paper
Gas phase absorption far-infrared (FIR) spectra of six flexible hydrocarbon molecules containing two phenyl groups --biphenyl, diphenylmethane, bibenzyl and 2-, 3-, 4-phenyltoluene-- are reported for the first time, allowing an...
 
Qianqian Wang, Qian Zhang, Meng Hu, Mengdong Ma, Bo Xu and Julong He
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02660H, Paper
An oP10–FeB4 phase [H. Gou, et al., Phys. Rev. Lett. 2013, 111, 157002] was recently synthesized based on previous theoretical predictions. In this study, a high-pressure phase of FeB4 (tP10–FeB4)...
 
Nicholas S Colella, Lei Zhang, Thomas McCarthy-Ward, Stefan C. B. Mannsfeld, H. Henning Winter, Martin Heeney, Jim Watkins and Alejandro Briseno
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02944E, Paper
High molecular weight PBTTT-C12 is blended with the pure trimer, BTTT-3, to enhance intergrain connectivity and charge transport. Analysis of the morphology and crystallinity of the blends shows that the...
 
Rémy Lacroix, Serge DaSilva, Monica Viaplana Gaig, Raphaël Rousseau, Marie-Line Delia and Alain Bergel
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02177K, Paper
The theoretical bases for modelling the distribution of the electrostatic potential in microbial electrochemical systems are described. The secondary potential distribution ((i.e. without mass transport limitation of the substrate) is...
 
Qiang Zhang, Long Cheng, Wei Liu, Yun Zheng, Xianli Su, Hang Chi, Huijun Liu, Yonggao Yan, Xinfeng Tang and Ctirad Uher
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP03468F, Paper
Li doping can optimize the hole concentration and density of state in Mg2(1−x)Li2xSi0.3Sn0.7 leading to the high thermoelectric performance.
 
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02801E, Paper
Study of structural, electronic and optical properties of tungsten doped bismuth oxychloride by DFT calculations.
 
S. Sabor, A. Touimi Benjelloun, M. Mogren Al Mogren and M. Hochlaf
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP03136A, Paper
Drastic changes in the shape of the potential of WC2+ upon consideration of spin–orbit effects.
 
Kelvin S. K. Goh, Mónica Jiménez-Ruiz, Mark R. Johnson, Stéphane Rols, Jacques Ollivier, Mark S. Denning, Salvatore Mamone, Malcolm H. Levitt, Xuegong Lei, Yongjun Li, Nicholas J. Turro, Yasujiro Murata and Anthony J. Horsewill
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP03272A, Paper
The splitting of the ortho-H2O ground state is clearly revealed by inelastic neutron scattering.
 
Catarina M. S. S. Neves, Kiki A. Kurnia, Karina Shimizu, Isabel M. Marrucho, Luís Paulo N. Rebelo, João A. P. Coutinho, Mara G. Freire and José N. Canongia Lopes
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02008A, Paper
The presence of fluorinated alkyl chains in ionic liquids is quite relevant regarding their thermophysical properties and aqueous phase behaviour.
 
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP03019B, Paper
To fully understand the polymer–filler interfacial interaction mechanism, we use a coarse-grained molecular dynamics simulation to mainly investigate the interfacial dynamic properties by tuning the polymer–filler interaction, temperature, chain length, volume fraction of filler, and size and shape of filler.
 
Jun-ichi Takashiro, Yasuhiko Kudo, Si-Jia Hao, Kazuyuki Takai, Don N. Futaba, Toshiaki Enoki and Manabu Kiguchi
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02678K, Paper
Preferential oxidation-induced etching of zigzag edges in nanographene and development of the NEXAFS spectra at oxidation temperature.
 
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP03030C, Paper
We present a new 1st-principles method to study aqueous Al3+ speciation under high pressure using Al(OH)x(H2O)y(3−x)+ clusters and Planck's equation.
 
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP03190C, Paper
The surface conformations and orientations of an anti-ricin aptamer determine the availability of the specific binding site to ricin molecules and thus determine the binding affinity.
 
Christoph Pradzynksi, Christoph Dierking, Florian Zurheide, Richard Forck, Udo Buck, Thomas Zeuch and Sotiris S. Xantheas
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP03642E, Communication
Water clusters with internally solvated water molecules are widespread models that mimic the local environment of the condensed phase. The appearance of stable (H2O)n cluster isomers having a fully coordinated...
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP03057E, Paper
Fluorescence correlation spectroscopy (FCS) is a standard tool for studying diffusion of molecules in solution, but is limited to low analyte concentrations, in the range between 10 pM and 1...
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02569E, Paper
The dynamics of the intramolecular short hydrogen bond in the molecular crystal of benzoylacetone and its deuterated analogue are investigated using ab initio molecular dynamics simulations. A study on intramolecular...
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02607A, Paper
This is an Accepted Manuscript, which has been through the RSC Publishing peer review process and has been accepted for publication. Accepted manuscripts are published online shortly after acceptance. This version of the article will be replaced by the fully edited, formatted and proof read Advance Article as soon as this is available.
 
Saiful Islam, Alexander Whiteside, Craig Fisher and Steve Parker
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02356K, Paper
The expansion of batteries into electric vehicle and grid storage applications has driven the development of new battery materials and chemistries, such as olivine phosphate cathodes and sodium-ion batteries. Here...
 
Jorge Luis Cholula-Diaz, Jose Barzola-Quiquia, Christian Kranert, Tom Michalsky, Pablo Esquinazi, Marius Grundmann and Harald Krautscheid
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP03103B, Paper
Millimeter size high quality crystals of CuGaS2 were grown by chemical vapor transport. The highly ordered chalcopyrite structure is confirmed by X-ray diffraction and Raman spectroscopy. According to energy dispersive...
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP03366C, Paper
Molecular and dissociative adsorption of ethanol on stoichiometric and O-defected CeO2 (111) surfaces alone as well as in the presence of one metal atom (Pd or Rh) are studied using...
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02683G, Paper
Ionic liquid based electrolytes are gaining great interest in the field of photo energy conversion. We have found that the ionic liquids namely BMIm Cl, BMIm PF6 and BMIm Tf2N...
 
Qingsong Wang, Jun Jin, Xiangwei Wu, Guoqiang Ma, Jianhua Yang and Zhaoyin Wen
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP03694H, Communication
A room temperature hybrid electrolyte based lithium-sulfur cell was successfully cycled with an excellent coulombic efficiency of 100%. The initial discharge specific capacities of up to 1528 mAh g-1, 1386...
 
Sergey Feofilov, Alexey Kulinkin, Karine Ovanesyan, Ashot Petrosyan and Christophe Dujardin
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02542C, Paper
The zero-phonon electronic transitions in Cr3+ and Ce3+ impurity ions in the series of Lu3xY3-3xAl5O12 (0 < x < 1) garnet solid solution crystals were studied experimentally. It was observed...
 
Felix Rieboldt, Stig Helveg, Ralf Bechstein, Lutz Lammich, Flemming Besenbacher, Jeppe Vang Lauritsen and Stefan Wendt
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02716G, Paper
The formation and sintering of Pt nanoparticles on vicinal and flat rutile TiO2 surfaces is studied by high-resolution STM to unravel the influence of the surface morphology.
 

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