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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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Yih Chung Chang, Zhihong Luo, Yi Pan, Zheng Zhang, Ying-Nan Song, Sophie Yajin Kuang, Qing-Zhu Yin, Kai-Chung Lau and Cheuk Ng
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP00371G, Paper
By employing two-color visible (VIS)-ultraviolet (UV) laser photoionization and pulsed field ionization-photoelectron (PFI-PE) techniques, we have obtained highly rotationally resolved photoelectron spectra for vanadium monocarbide cation (VC+). The state-to-state VIS-UV-PFI-PE...
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP00507H, Paper
Graphene oxide (GO) and silane-functionalized GO (sGO) sheets obtained through a simple sonication exfoliation method are employed as hole transport layers to improve the efficiency of organic photovoltaic cells (OPV)...
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP00476D, Paper
Microwave heating effects are widely used in the acceleration of organic, polymerization and enzymatic reactions. These effects are primarily caused by the local heating induced by microwave irradiation. However, the...
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP00678C, Paper
One of the options suggested for methane recovery from natural gas hydrates are molecular replacement of methane by a suitable guests like CO2 and N2. This approach has been found...
 
Vera Protopopova, Niklas Wester, Miguel A. Caro, Pavel G. Gabdullin, Tommi Palomäki, Tomi Laurila and Jari Koskinen
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C4CP05855K, Paper
In this paper we show that the electronic properties of ultrathin tetrahedral amorphous carbon (ta-C) films are heavily dependent on their thickness. By using scanning tunnelling spectroscopy, Raman spectroscopy, and...
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP00221D, Paper
The structure and dynamics of the highly flexible side chain of (protonated) phenylethylamino neurotransmitters are essential for their function. The geometric, vibrational, and energetic properties of the protonated neutrotransmitter 2-phenylethylamine...
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C4CP05335D, Paper
Differential binding affinity of hydroxypropyl-β-cyclodextrin (HPβCD) macrocycle, a drug delivery vehicle, towards protonated and deprotonated forms of the well-known DNA binder and a model anticancer drug, acridine, has been exploited...
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP00187K, Paper
An analogue of carbene, singlet silylene (H3P=N)2Si was paired with the mono-substitution phosphines XH2Y (X = P, As, and Sb; Y = F, Cl, Br, and I) to form unconventional...
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP00016E, Paper
The properties of zeolite A change significantly with sodium – calcium exchange. The impact of cation composition on the temperature – induced phase transformations and energetics for Na – Ca...
 
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C5CP00050E, Paper
The fluorescence of p-cyanophenylalanine is quenched by selenomethionine through an electron transfer process occurring at short distances.
 
Yi Bao, Richard L. Martin, Maciej Haranczyk and Michael W. Deem
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C5CP00002E, Paper
Metal–organic frameworks (MOFs) offer unprecedented atom-scale design and structural tunability, largely due to the vast number of possible organic linkers which can be utilized in their assembly.
 
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C5CP00568J, Paper
Vibrational spectroscopic simulation for HXeCCH, HXeBr, and HXeI in noble-gas matrices.
 
Flaviu S. Cipcigan, Vlad P. Sokhan, Andrew P. Jones, Jason Crain and Glenn J. Martyna
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C4CP05506C, Paper
We discover two hydrogen bonding motifs in liquid water and a related asymmetry linked with molecular orientation at its liquid–vapour interface.
 
Marianna Manca, Albert J. J. Woortman, Andrea Mura, Katja Loos and Maria Antonietta Loi
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C4CP05001K, Paper
Inclusion complex formation between lipophilic dye molecules and amylose polymers in starch granules is investigated using laser spectroscopy and microscopy.
 
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C5CP00460H, Communication
The evaporation-induced self-assembling of a few-layer graphene results in macroscopic branched fractal-like conductive patterns with reduced percolation thresholds.
 
Jung-Hoon Lee, Woo-Jin Lee, Sung-Hoon Lee, Seong Min Kim, Sungjin Kim and Hyun Myung Jang
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C4CP06094F, Paper
The intra-atomic 3dz2–4pz orbital self-mixing of Zn (ϕm = cdϕ3dz2 + cpϕ4pz with cd > cp) is the electronic origin of the c-axis-oriented piezoelectricity in ZnO.
 
Guidong Ge, Jinan Gu, Jiangsheng Yu, Enwei Zhu, Jiefeng Hai, Linyi Bian, Fujun Zhang, Zhongsheng Xu, Wanli Ma and Weihua Tang
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C5CP00349K, Paper
Three dialkylthio benzo[1,2-b:4,5-b′]dithiophene polymers were developed with tuned bandgaps exhibiting a highest PCE value of 5.63% obtained for the polymer solar cells.
 
Bo-Jung Chen, Po-Yu Tsai, Ting-Kang Huang, Zhu-Hong Xia, King-Chuen Lin, Chuei-Jhih Chiou, Bing-Jian Sun and A. H. H. Chang
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C4CP06043A, Paper
A primary elimination channel of the chlorine molecule in the one-photon dissociation of SOCl2 at 248 nm was investigated using cavity ring-down absorption spectroscopy (CRDS).
 
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C4CP05847J, Paper
Data mining the trajectories of molecular dynamics simulations leads to a better understanding of oxygen diffusion in perovskites.
 
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C4CP05663A, Paper
Two chemically very similar Ru–bipyridine dyes were grafted onto NiOx and the dye-sensitized surfaces were investigated with transient absorption spectroscopy. One facilitates hole injection, the other one does not.
 
Paolo Arosio, Tuomas P. J. Knowles and Sara Linse
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C4CP05563B, Perspective
Rates of microscopic processes taking place during the lag phase of amyloid fibril formation for a reaction starting from an initially monomeric 4 μm solution of Aβ42.
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP00196J, Paper
A computational study is presented of the cooperative effect of a small four atom Co oxide cluster supported on the TiO2 anatase (100) surface in the electrochemical water splitting reaction....
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP00264H, Communication
Graphene oxide (GO) nanosheets were easily covered with uniform metal-organic network films composed of tannic acid and Fe ions. The surface morphology of the wrapped GO sheets was elucidated by...
 
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C4CP05821F, Paper
A fully numerical method for the time-dependent Hartree–Fock and density functional theory (TD-HF/DFT) with the Tamm–Dancoff (TD) approximation is presented in a multiresolution analysis (MRA) approach.
 
Mohammad Esmail Alikhani, Emilie-Laure Zins and Bernard Silvi
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C4CP05728G, Paper
Agostic bondings are of paramount importance in C-H bond activation processes. The reactivity of the σ C-H bond thus activated will depend on the nature of the metallic center, the...
 

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