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
 
  • All Recent Articles
  • |
  • Advance Articles
  • |
  • Accepted Manuscripts
arrow_left Prev Pg 1 of 10 Next arrow_right
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP04394D, Paper
A series of D––A star-shaped molecules with triphenylamine (TPA) as core, 1,8-naphthalimide (NI) derivatives as end groups, and different -bridges have been designed to explore their optical, electronic, and charge...
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP04096A, Paper
Multi-stimuli responsive materials based on cellulose nanocrystals (CNC), especially using non-conventional stimuli including light, still need more explorations, to fulfill the requirement of complicated application environments. The structure determination of...
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP04180A, Paper
Recent years are evidenced for the negative effects of ionic liquids (ILs), “greener solvents”, on proteins [Phys. Chem. Chem. Phys., 2014, 16, 5514]. The search to offset the negative effects...
 
Mingguang Li, Jiangang Liu, Xinxiu Cao, Ke Zhou, Qiaoqiao Zhao, Xinhong Yu, Rubo Xing and Yanchun Han
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP04161E, Paper
Herein, balanced intermixed and pure crystalline phases in N,N′-bis(1-ethylpropyl)-perylene-3,4,9,10-tetracarboxylic diimide (EP-PDI)-based non-fullerene organic solar cells (OSCs) were achieved via selective solvent additives (SAs). Poly[[4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b’]dithiophene-2,6-diyl][3-fluoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophenediyl]] (PTB7) and 7,7’-(4,4-bis(2-ethylhexyl)-4H-silolo[3,2-b:4,5-b’]dithiophene-2,6-diyl)bis(6-fluoro-4-(5’-hexyl-[2,2’-bithiophen]-5-yl)benzo[c][1,2,5]thiadiazole) (F-DTS) possessing different...
 
Dylan Christopher Hennessey, Brendan Henry Sheppard, Dalton Mackenzie and Jason Pearson
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02669A, Paper
We present an application of the recently introduced Localized Pair Model (LPM) [Z. A. Zielinksi and J. K. Pearson, Comput. Theor. Chem., 2013, 1003, 7990.] to characterize and quantify properties...
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP03862B, Perspective
Because of their key role in many areas of science and technology, bimolecular photoinduced electron transfer reactions have been intensively studied over the past five decades. Despite this, several important...
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP04425H, Paper
The effects of thermal disorder on electronic properties of crystalline polymers were investigated. Atomic configurations of the material were obtained using classical Monte Carlo simulations at room temperature, while electronic...
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP04032E, Paper
Hydroxynitrile lyases (HNLs) defend plants from herbivores and microbial attack by releasing cyanide from hydroxynitriles. The reverse process has been productively applied to bioorganic syntheses of pharmaceuticals and agrochemicals. To...
 
George Volonakis, Leonidas Tsetseris and Stergios Logothetidis
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP03203A, Paper
The performance of organic electronic devices often shows a strong dependence on the presence of impurities, for example oxygen and water molecules. Here we use first-principles calculations to examine oxygen-...
 
Sanghamitra Mukhopadhyay, Matthias J Gutmann and Felix Fernandez-Alonso
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP03713H, Paper
First-principles molecular dynamics simulations and neutron-scattering experiments have been employed to investigate the structure and underlying vibrational motions in croconic acid as a function of temperature over the range 4-400K....
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP03091E, Paper
In this experimental investigation the interaction of lithium with 1-octyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ([OMIm]Tf2N) is shown. For this purpose thin films of lithium and [OMIm]Tf2N were successively vapor deposited on a copper...
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP03882G, Paper
The present work is focused on the elucidation of the electronic structure, bonding nature and optical properties in a series of low symmetry (C2) coordination compounds of the type [LnIIIHAM]3+,...
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP03004D, Paper
Recent interests in biodiesel combustion urge the needs for theoretical chemical kinetics of large alkyl ester molecules. This is however computationally challenging for prevalent high-level electronic structure theory based methods....
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP03041A, Paper
Electrochemical nucleation and growth kinetics of copper nanoparticles on a Ni electrode has been studied with cyclic voltammetry and chronoamperometry in the choline chloride (ChCl)-urea based deep eutectic solvent (DES)....
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP03104K, Paper
IRMPD spectroscopy and computational chemistry techniques have been used to determine that the proton- and sodium-bound dimers of proline exist as a mixture of a number of different structures. Simulated...
 
Raoul Blume, Piran R. Kidambi, Bernhard Bayer, Robert Weatherup, Zhu-Jun Wang, Gisela Weinberg, Marc Georg Willinger, Mark Greiner, Stephan Hofmann, Axel Knop-Gericke and Robert Schlögl
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP04025B, Paper
Intercalation of oxygen at the interface of graphene grown by chemical vapour deposition and its polycrystalline copper catalyst can have a strong impact on the electronic, chemical and structural properties...
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP04194A, Communication
We demonstrate the striking potential of exfoliated clay (synthetic hectorite; Laponite XLG) platelets to prepare bimetallic (Co–Pt and Ni–Pt) NCs with well-defined structures. Catalytic studies show a strong bimetallic synergistic...
 
Luke A. Rochford, Alexandra J. Ramadan, Sandrine Heutz and Tim S. Jones
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP04217D, Paper
Micro-structured copper iodide used for high temperature growth selectively nucleates a crystalline polymorph of iron phthalocyanine.
 
Jose A. Alarco, Peter C. Talbot and Ian D. R. Mackinnon
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP04114C, Paper
DFT calculated phonon frequencies for a 2× super-lattice of MgB2 isotopic forms with P63mc symmetry suggests coherent acoustic phonon decay may be an important contributor to superconductivity.
 
Daniel P. Zaleski, Susanna L. Stephens and Nicholas R. Walker
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP04108A, Perspective
A review of recent experiments demonstrating the high value of broadband rotational spectroscopy applied to analyse molecular products of plasma chemistry.
 
Dumitru-Claudiu Sergentu, Rémi Maurice, Remco W. A. Havenith, Ria Broer and Daniel Roca-Sanjuán
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP03277B, Paper
The dominant triplet population mechanism in benzophenone is determined from wave function based calculations, and involves the T2(ππ*) state as an intermediate between S1 and T1.
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP04069D, Paper
The endohedral complexes of diatomic guest molecules H2, N2, O2, F2, HF, CO, LiH, LiF, BN, and BeO with C60 have been characterized computationally by employing second-order Møller-Plesset (MP2) theory...
 
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP03914A, Communication
A quantum dot conjugated to a dye through an experimentally simple process of self-assembly exhibits an enhanced emission when the dye is attached, and this effect is pH-sensitive.
 
Michael Marek Koza, Andreas Leithe-Jasper, Erik Sischka, Walter Schnelle, Horst Borrmann, Hannu Mutka and Yuri Grin
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP04097J, Paper
We report on the inelastic response of $A$V$_2$Al$_{20}$ (with $A=$ Sc, La and Ce) probed by high--resolution inelastic neutron scattering experiments. Intense signals associated with the dynamics of Sc, La...
 
Edelsys Codorniu-Hernandez, Kyle Wm. Hall, Daniel Ziemianowicz, Sheelagh Carpendale and Peter Kusalik
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02959C, Paper
The behavior of the hydroxyl radical (OH*) in solution is significant to a broad range of scientific and technological fields. OH* is considered a highly reactive, short-lived species and previous...
 

Search this Journal

Find an Issue

Physical Chemistry Chemical Physics (1999-Present)
Year *
Issue

Find an Article

Journal*
Year*
Page 

Related News

Take two bodies of water whose initial characteristics are identical, except for their temperature. Measure how long it takes these two bodies of wate...
PCCP Blog 02 Oct 2014
The best content for researchers, readers and scientists in academia, industry and beyond. That’s what to expect from our ever-expanding publishing pr...
RSC Publishing Blog 30 Sep 2014
PCCP is delighted to present its latest themed collection which includes an excellent selection of interesting and timely articles on charge generatio...
PCCP Blog 18 Sep 2014
Congratulations to Jing Wang who was recently awarded a PCC P poster prize at the ' Electrochem2014' conference which took place at Loughborough Unive...
PCCP Blog 15 Sep 2014