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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.
 
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Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
DOI: 10.1039/C7CP02142A, Paper
The excitation wavelength (λexc) dependence of the photoluminescence (PL) quantum yield (ΦPL) and decay behavior (τPL) of a series of CdSe/CdS quantum dot/quantum rods (QDQRs), consisting of the same spherical...
 
Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
DOI: 10.1039/C7CP01530E, Paper
A core-polyethylene glycol-lipid shell (CPLS) nanoparticle consists of an inorganic core coated with polyethylene glycol (PEG) polymers, surrounded by a lipid bilayer shell. It can be self-assembled from a PEGylated...
 
Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
DOI: 10.1039/C7CP01270E, Paper
A nano-flow is induced by applying gigahertz rotating electric fields (EF) of different strengths and frequencies on a carbon nanotorus filled with water molecules, using molecular dynamics simulation. This nano-flow,...
 
Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
DOI: 10.1039/C7CP01598D, Paper
We present an extension of the structural motif model [Cioslowski et al., J. Am. Chem. Soc., 2000, 122, 8265], originally proposed to predict the relative stability of medium-sized neutral fullerenes...
 
Phys. Chem. Chem. Phys., 2017, Advance Article
DOI: 10.1039/C7CP90084H, Correction
 
Phys. Chem. Chem. Phys., 2017, Advance Article
DOI: 10.1039/C7CP90083J, Correction
 
Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
DOI: 10.1039/C7CP01203A, Paper
Organic redox compounds have become emerging electrode materials for rechargeable lithium ion batteries. The high electrochemical performance provides organic electrode materials with great opportunities to be applied in electric energy...
 
Dmitry A Safonov, Vladimir V Klinshov and Vladimir K Vanag
Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
DOI: 10.1039/C7CP01177F, Paper
The dynamical regimes of four almost identical oscillators with pulsatile excitatory coupling have been studied theoretically with two models: a kinetic model of the Belousov-Zhabotinsky reaction and a phase-reduced model....
 
Daniel Dundas, Peter Mulholland, Abigail Wardlow and Alejandro de la Calle
Phys. Chem. Chem. Phys., 2017, Advance Article
DOI: 10.1039/C7CP01661A, Paper
Angularly-resolved photoelectron spectra for acetylene ionized by ultrashort laser pulses are calculated: these show how excited states influence electron emission.
 
Phys. Chem. Chem. Phys., 2017, Advance Article
DOI: 10.1039/C7CP01602F, Paper
The aggregation behavior of cyclic polypeptoids has been studied using experiments and simulations.
 
Phys. Chem. Chem. Phys., 2017, Advance Article
DOI: 10.1039/C7CP00582B, Paper
Molecular dynamics simulations of the shut α1β2γ2 GABAA heteropentamer receptor homology model reveal significant differences between intersubunit interfaces (ligand binding G1, G2 and non-binding) compared to homomeric receptor assemblies and possible ion interaction sites in the top part of the transmembrane domain (TMD).
 
Yan Li, Sen Li, Yingmin Wang, Jun Wang, Hui Liu, Xinqian Liu, Lifeng Wang, Xiaoguang Liu, Wendong Xue and Ning Ma
Phys. Chem. Chem. Phys., 2017, Advance Article
DOI: 10.1039/C6CP06377B, Paper
In this work, phosphorus-doped graphene quantum dots (P-GQDs) with a high phosphorus doping content (>7 at%) are synthesized via an electrochemical approach.
 
Phys. Chem. Chem. Phys., 2017, Advance Article
DOI: 10.1039/C7CP00185A, Paper
Electron beam of scanning transmission electron microscopy can induce nanoscale-controlled Li-insertion in Li4Ti5O12 electrode, which is significant as a new type of electron beam-assisted chemical reactions for local structural and property modifications.
 
Xiaohua Zhou, Erhu Zhang, Minggang Xia, Lei Zhang, Zhiqi Tian, Jianlin Liu and Shengli Zhang
Phys. Chem. Chem. Phys., 2017, Advance Article
DOI: 10.1039/C7CP00007C, Paper
Bead-like structures composed by 10 cells due to adhesion. Symmetry breaking is induced by the change of volume of cells.
 
Phys. Chem. Chem. Phys., 2017, Advance Article
DOI: 10.1039/C7CP00066A, Paper
Metal–organic framework (MOF) and graphene oxide (GO) composite materials (MOF/GO) have been regarded as promising for separation applications due to their synergistically enhanced adsorption properties.
 
Phys. Chem. Chem. Phys., 2017, Advance Article
DOI: 10.1039/C7CP00835J, Perspective
Semiconducting boron carbides based on cross-linked carborane (B10C2H12) icosahedra, developed several decades ago, are of significant interest in a variety of emerging areas, including photocatalysis, spintronics, and especially neutron detection.
 
Neha Agarwal, Ruma Bhattacharyya, Narendra K. Tripathi, Sanjay Kanojia, Debmalya Roy, Kingsuk Mukhopadhyay and Namburi Eswara Prasad
Phys. Chem. Chem. Phys., 2017, Advance Article
DOI: 10.1039/C7CP00357A, Paper
Physico-chemical phenomena endure in the nanoscale domains of organic–inorganic interfaces for exfoliation, interfacial debonding and cracking of the graphite sheets.
 
Phys. Chem. Chem. Phys., 2017, Advance Article
DOI: 10.1039/C6CP08173H, Paper
The evolution of the defect structure and microstructure of heavily Gd-doped ceria for different synthetic pathways is investigated to explore the way defects interact with each other in a composition range known to effectively hamper the application of the material as electrolyte.
 
Marco Franco-Pérez, Farnaz Heidar-Zadeh, Paul W. Ayers, José L. Gázquez and Alberto Vela
Phys. Chem. Chem. Phys., 2017, Advance Article
DOI: 10.1039/C7CP00224F, Paper
The analytical working equations for the chemical potential and the Fukui function for the case of any number of ground and excited states is presented.
 
Aaron Sisto, Clem Stross, Marc W. van der Kamp, Michael O’Connor, Simon McIntosh-Smith, Graham T. Johnson, Edward G. Hohenstein, Fred R. Manby, David R. Glowacki and Todd J. Martinez
Phys. Chem. Chem. Phys., 2017, Advance Article
DOI: 10.1039/C7CP00492C, Paper
We present GPU-accelerated ab initio molecular dynamics simulations of nonadiabatic dynamics in the LH2 complex in full atomistic detail.
 
Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
DOI: 10.1039/C7CP00705A, Paper
We studied the effects of temperature and hydrostatic pressure on the dynamical properties and folding stability of highly concentrated lysozyme solutions in the absence and presence of the osmolytes trimethylamine-N-oxide...
 
Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
DOI: 10.1039/C7CP01726J, Paper
Cysteine proteases are the most abundant proteases in parasitic protozoa and they are essential enzymes to the life cycle of several of them, thus becoming attractive therapeutic targets for the...
 
Mateus Henrique Köhler, José Rafael Bordin, Leandro Barros da Silva and Marcia Cristina Barbosa
Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
DOI: 10.1039/C7CP02058A, Paper
In this paper the transport properties of water confined inside hydrophobic and hydrophilic nanotubes are compared for different nanotube radii and densities. While for wider nanotubes the nature of the...
 
Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
DOI: 10.1039/C7CP01750B, Paper
Soft nanoparticulate complexants are defined by a spatial confinement of reactive sites and electric charges inside their 3D body. In turn, their reactivity with metal ions differs significantly from that...
 
Kai-Cheng Zhang, Yong-Feng Li, Yong Liu, Yan Zhu and Li-Bin Shi
Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
DOI: 10.1039/C7CP01641G, Paper
Nowdays, transition-metal adatoms and dimers with giant magnetic anisotropy have attracted much attention due to their potential applications in data storage, spintronics and quantum computation. By density-functional calculations, we investigated...
 

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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.

33 citations
1H and 19F NMR experiments have identified and quantified the internal surface terminations of Ti3C2Tx MXene.
DOI: 10.1039/C6CP00330C
Published: 21 Jan 2016
39 citations
We explore how strategies to simulate various phenomena of electronic systems have been implemented in the Octopus code, using the versatility and performance of real-space grids.
DOI: 10.1039/C5CP00351B
Published: 20 Feb 2015
39 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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