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Journal cover: Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics

High quality research in physical chemistry, chemical physics and biophysical chemistry.
Impact Factor 4.449 48 Issues per Year Indexed in Medline and Web of Science
 
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Prasanthkumar Kavanal Prabhakaran, J. Raul Alvarez-Idaboy, Pavitra V Kumar, Beena G Singh and Indira Priyadarsini Kavirayani
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP04483B, Paper
2-thiocytosine (TC) and 2-thiouracil (TU) have been subjected to hydrated electron (eaq–), formate radical (CO2•–) and 2-hydroxypropan-2-yl radical ((CH3)2•COH) reactions in aqueous medium. Transients were characterized by absorption spectroscopy and...
 
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP05899J, Paper
In this article, the existence of N…O noncovalent interactions was explored in per-halo substituted ammonia-water complexes. Optimized geometry at MP2/aug-cc-pVTZ level shows that the N…O distance in all complexes is...
 
Ying Wei, Jun Lu, Tong Lu, Feihong Meng, Jia Xu, Li Wang, Yang Li, Liping Wang and Fei Li
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP04431J, Paper
Prefibrillar amyloid aggregates of proteins are known as cytotoxic species and a common pathogenic factor of many degenerative diseases. The mechanism underlying the formation and cytotoxicity of prefibrillar aggregates is...
 
Bing Liu, Xinpeng Tang, Wenjing Fang, Xiaoqi Li, Jun Zhang, Zhiliang Zhang, Yue Shen, Youguo Yan, Xiao-Li Sun and Jianying He
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP04253H, Paper
The reverse micelles (RMs) in supercritical CO2 (scCO2) are promising alternatives for organic solvents, especially for both polar and non-polar components are involved. Fluorinated surfactants, particularly the double-chain fluorocarbon surfactants,...
 
Holly Tetlow, Joel Posthuma de Boer, Ian J. Ford, Dimitri D. Vvedensky, Davide Curcio, Luca Omiciuolo, Silvano Lizzit, Alessandro Baraldi and Lev Kantorovich
Phys. Chem. Chem. Phys., 2016, Advance Article
DOI: 10.1039/C6CP03638D, Paper
The complete mechanism behind the thermal decomposition of ethylene (C2H4) on Ir(111), which is the first step of graphene growth, is established for the first time employing a combination of experimental and theoretical methods.
 
Phys. Chem. Chem. Phys., 2016, Advance Article
DOI: 10.1039/C6CP04918D, Paper
QM/MM calculations reveal that imidazolonepropionase (HutI) specifically catalyzes the hydrolytic cleavage of (S)-enantiomer of substrate to yield L-formiminoglutamic acid.
 
Phys. Chem. Chem. Phys., 2016, Advance Article
DOI: 10.1039/C6CP05280K, Paper
The optimum location of junction z0m as a function of base diameter for different surface charge densities with data from a fitted equation.
 
Phys. Chem. Chem. Phys., 2016, Advance Article
DOI: 10.1039/C6CP03977D, Paper
The photocatalytic mechanism of a Cu2O/CuO hybrid system is investigated by density functional theory calculations.
 
Phys. Chem. Chem. Phys., 2016, Advance Article
DOI: 10.1039/C6CP05291F, Paper
The binary ionic liquids BmimBr and BmimOAc have the important electrostatic and hydrogen bond effects on the catalytic conversion of carbon dioxide, ethylene oxide and aniline to 3-phenyl-2-oxazolidionone.
 
W. Strek, R. Tomala, L. Marciniak, M. Lukaszewicz, B. Cichy, M. Stefanski, D. Hreniak, A. Kedziorski, M. Krosnicki and L. Seijo
Phys. Chem. Chem. Phys., 2016, Advance Article
DOI: 10.1039/C6CP04904D, Paper
The laser induced white emission (LIWE) from Sr2CeO4 nanocrystals upon irradiation with a focused IR laser beam was investigated.
 
Phys. Chem. Chem. Phys., 2016, Advance Article
DOI: 10.1039/C6CP04336D, Paper
The dual state intense emission, both fluorescence and phosphorescence, of CBIQD by way of conformational regulation–deregulation.
 
David Quiñonero, Ibon Alkorta and José Elguero
Phys. Chem. Chem. Phys., 2016, Advance Article
DOI: 10.1039/C6CP03662G, Paper
Stable minima showing halogen bonds between charged molecules with the same sign have been explored by means of theoretical calculations.
 
M. R. Ashwin Kishore, H. Okamoto, Lokanath Patra, R. Vidya, Anja O. Sjåstad, H. Fjellvåg and P. Ravindran
Phys. Chem. Chem. Phys., 2016, Advance Article
DOI: 10.1039/C6CP04170A, Paper
Using density functional theory calculations and NPD measurements, we have identified that Mn5O8 is a strongly correlated mixed valent antiferromagnetic metal.
 
Kyungtae Lee, Woo-Jin Lee, Hyo Sug Lee, Jaikwang Shin, Jieun Park, Seongsuk Lee, Samjong Choi, Sueryeon Kim, Jinseong Kim and Youngseon Shim
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP05720A, Paper
The decomposition reactions of a Si precursor, diisopropylaminosilane (DIPAS) on the W (110) and hydroxylated WO3 (001) surfaces were investigated to elucidate the initial reaction mechanism of the atomic layer...
 
Ljubica Andjelkovic, Stepan Stepanovic, Filip Vlahovic, Matija Zlatar and Maja Gruden
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP03859J, Paper
A detailed Density Functional Theory (DFT) analysis was performed in order to study the multimode Jahn-Teller (JT) problem in the electronic ground state of manganese phthalocyanine (MnPc). Comparison with magnesium...
 
Karina Hoher, Piercarlo Fortunato Cardoso, Luiz Fernando Lepre, Rômulo Augusto Ando and Leonardo José Amaral Siqueira
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP04036E, Paper
An investigation comprising experimental techniques (absorption capacity of SO2 and vibrational spectroscopy) and molecular simulations (thermodynamics, structure, and dynamics) has been performed for the polymer poly(ethylene oxide) (PEO), the ionic...
 
Raúl Mera-Adasme, Wen-Hua Xu, Dage Sundholm and Fernando Mendizabal
Phys. Chem. Chem. Phys., 2016, Advance Article
DOI: 10.1039/C6CP04627D, Paper
Solar power is a strong alternative to the currently used fossil fuels in order to satisfy the world's energy needs.
 
Mira Skaf, Sara Hani, Samer Aouad, Cédric Gennequin, Madona Labaki, Edmond Abi-Aad and Antoine Aboukaïs
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP05574E, Paper
10% Ag/CeO2 solid was prepared with the impregnation method. When the solid is calcined at 400 °C, three types of Ag2+ species are formed. One of them is more thermally...
 
Valentina Marchionni, Jakub Szlachetko, Maarten Nachtegaal, Anastasios Kambolis, Oliver Kröcher and Davide Ferri
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP05992A, Paper
In situ time-resolved spectroscopic examination of catalysts based on well dispersed nano-particles on metal oxides under transient conditions significantly facilitates the elucidation of reaction mechanisms. In this contribution, we demonstrate...
 
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP04952D, Paper
In this work, we present a theoretical study of surface state occupation statistics at semiconductor- liquid interfaces, as it pertains to the evolution of H2 and O2 through water splitting....
 
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP04299F, Paper
The electrochemical systems containing zinc dicyanamide salt (Zn(dca)¬2) in both 1-ethyl-3-methylimidazolium dicyanamide ([C2mim][dca]) and N-butyl-N-methylpyrrolidinium dicyanamide ([C4mpyr][dca]) ionic liquids (ILs) have been studied by atomic force microscopy (AFM) on a...
 
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP05590G, Paper
The amyloid deposits of human islet amyloid polypeptide (hIAPP) are identified in 95% of the type II diabetes patients. The oligomers during the early stage of hIAPP aggregation are believed...
 
Dandan Lu, Ji Qi, Minghui Yang, Jörg Behler, Hongwei Song and Jun Li
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP05780B, Paper
Full-dimensional coupled-channel quantum scattering and quasi-classical trajectory calculations have been carried out and analyzed to unravel the mode specific dynamics in the H2 + SH → H + H2S reaction...
 
Serge Ayissi, Krisztian Palotas, Hanna Qin, Lijuan Yang and Paul A. Charpentier
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP03967G, Paper
Rutile-monoclinic phase transitions of vanadium oxide (VO2) nanocrystals adsorbed on graphene-based substrates are of current scientific interest, although their adsorption and growth mechanisms have not been investigated theoretically. In this...
 
Qingyong Meng, Kevin M. Hickson, Kejie Shao, Jean-Christophe Loison and Dong Zhang
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP05517F, Paper
Rate coefficients of the barrierless O (${}^1D$) + CH$_4$ reaction are determined both theoretically and experimentally at $50\;\mathrm{K}$ - $296\;\mathrm{K}$. For the calculations, ring polymer molecular dynamics (RPMD) simulations are...
 

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Articles from this journal that are regularly and recently being cited by others. We are trialling this feature to see if it makes it quicker and easier for you to find articles for your research. Read more about how we have created this filtering system.

152 citations
This Perspective summarises the properties of a variety of anomalous diffusion processes and provides the necessary tools to analyse and interpret recorded anomalous diffusion data.
DOI: 10.1039/C4CP03465A
Published: 22 Sep 2014
26 citations
Propagation of the light-induced trap passivation reaction through a thick perovskite crystal.
DOI: 10.1039/C5CP04410C
Published: 27 Aug 2015
21 citations
Rotational dynamics of organic cations in the CH3NH3PbI3 perovskite are revealed by elastic and quasi-elastic neutron scattering and group theoretical analysis.
DOI: 10.1039/C5CP05348J
Published: 28 Oct 2015

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