Author Archive

Outstanding Reviewers for Physical Chemistry Chemical Physics in 2016

Following the success of Peer Review Week in September 2016 (dedicated to reviewer recognition) during which we published a list of our top reviewers, we are delighted to announce that we will continue to recognise the contribution that our reviewers make to the journal by announcing our Outstanding Reviewers each year.

We would like to highlight the Outstanding Reviewers for Physical Chemistry Chemical Physics in 2016, as selected by the editorial team, for their significant contribution to the journal. The reviewers have been chosen based on the number, timeliness and quality of the reports completed over the last 12 months.

We would like to say a big thank you to those individuals listed here as well as to all of the reviewers that have supported the journal. Each Outstanding Reviewer will receive a certificate to give recognition for their significant contribution.

Professor Katsuhiko Ariga, National Institute for Materials Science

Dr Leonardo Bernasconi, Rutherford Appleton Laboratory

Dr Antonio Cammarata, Czech Technical University in Prague

Professor Ayan Datta, Indian Association for the Cultivation of Science

Professor Sergei Manzhos, National University of Singapore

Dr Aurelien Perera, Université Pierre et Marie Curie

Dr Jose Plata, Duke University

Professor Yasuteru Shigeta, University of Tsukuba

Professor Leonidas Tsetseris, National Technical University of Athens

Dr Lijun Xu, Honeywell UOP

We would also like to thank the Physical Chemistry Chemical Physics board and the Physical Chemistry community for their continued support of the journal, as authors, reviewers and readers.

If you would like to become a reviewer for our journal, just email us with details of your research interests and an up-to-date CV or résumé.  You can find more details in our author and reviewer resource centre

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34th International Symposium on Free Radicals

The biannual International Symposium will take place in Hayama, Japan on 27th August 2017 – 1st September 2017.  The Free Radicals series aims to provide a strongly interdisciplinary forum for chemists, physicists, astrophysicists and environmental scientists for exchanging the latest research results on diverse aspects, experiment and theory, of free radicals.

Topics which will be covered at the 34th International Symposium on Free Radicals include:

  • Spectroscopy of free radicals
  • Structure of free radicals
  • Chemical kinetics and dynamics of radicals, theory and experiment
  • Ultrafast spectroscopy of chemical dynamics
  • Free radicals as reaction intermediates
  • Free radicals and atmospheric chemistry
  • Free radicals and combustion chemistry
  • Free radicals and interstellar chemistry
  • Cold atoms and molecules

For more information, please check out the website.

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New PCCP Advisory board members

PCCP are happy to anounce some new advisory board members starting in 2017.

  • Denis Jacquemin, Université de Nantes, France
  • Toshinori Suzuki, Kyoto University, Japan
  • Paul Ayers, McMaster University, Canada

Check out our PCCP page for more details on our Editorial and Advisory board members.

 

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Introducing Associate Editor Professor Piero Baglioni

We are delighted to welcome Professor Piero Baglioni as our newest Associate Editor for PCCP.

Professor Piero Baglioni is a professor of Physical Chemisty at the University of Florence and director of the Italian Center for Colloid and Nanoscence (CSGI). His scientific interests focus on the Physical Chemistry of soft matter systems, both from a fundamental and an applicative point of view. In particular his research interests concern amphiphilic and lipid self-assembly, water confinement in inorganic and organic matrices, and the design of inorganic and hybrid nanostructured materials for applications in different areas, as materials for cultural heritage conservation, coatings,  building materials.

Read Professor Baglioni’s most recent PCCP article:

Poly(ethylene glycol)-graft-poly(vinyl acetate) single-chain nanoparticles for the encapsulation of small molecules
Arianna Bartolini, Paolo Tempesti, Claudio Resta, Debora Berti, Johan Smets, Yousef G. Aouad and Piero Baglioni
Phys. Chem. Chem. Phys., 2017,19, 4553-4559
DOI: 10.1039/C6CP07967A, Paper

Welcome Professor Piero Baglioni and his Editorial Office can be selected on submission to PCCP here.

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Now online – Insights from advanced methods in molecular dynamics Themed Issue

PCCP are pleased to anounce that the Insights from advanced methods in molecular dynamics themed issue is now online.  This issue aims to highlight the new insights and applications that have been enabled by the use of advanced molecular dynamics techniques and potentials. The issue is guest-edited by G. Andres Cisneros (Wayne State University), Haiyan Liu (University of Science & Technology of China), Jean-Philip Piquemal (Sorbonne Université) and Pengyu Ren (University of Texas at Austin).

Read the full collection online. It includes:

Elucidation of the conformational dynamics of multi-body systems by construction of Markov state models
Lizhe Zhu, Fu Kit Sheong, Xiangze Zeng and Xuhui Huang
Phys. Chem. Chem. Phys., 2016,18, 30228-30235
DOI: 10.1039/C6CP02545E

On the calculation of equilibrium thermodynamic properties from molecular dynamics
Peter V. Coveney and Shunzhou Wana
Phys. Chem. Chem. Phys., 2016,18, 30236-30240
DOI:  10.1039/C6CP02349E

Simulations of the water exchange dynamics of lanthanide ions in 1-ethyl-3-methylimidazolium ethyl sulfate ([EMIm][EtSO4]) and water
Yi-Jung Tu, Matthew J. Allen and G. Andrés Cisneros
Phys. Chem. Chem. Phys., 2016,18, 30323-30333
DOI:  10.1039/C6CP04957E

Calculating binding free energies of host–guest systems using the AMOEBA polarizable force field
David R. Bell, Rui Qi, Zhifeng Jing, Jin Yu Xiang, Christopher Mejias, Michael J. Schnieders, Jay W. Ponder and Pengyu Ren
Phys. Chem. Chem. Phys., 2016,18, 30261-30269
DOI:  10.1039/C6CP02509A

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XLIV Congress of the Division of Physical Chemistry of the Italian Chemical Society

PCCP was pleased to support the XLIV Congress of the Division of Physical Chemistry of the Italian Chemical Society which took place in Naples from the 20th – 23rd September 2016.

The following were winners of the PCCP sponsored Poster Prizes.

Winner name Institution Poster title
Massimo Bernareggi University of Milan Temperature effects on the photocatalytic hydrogen production with Cu-Pt containing TiO2 materials
Ilaria Fortunati University of Padua Determination of FRET efficiency through fluorescence lifetime analysis using Cameleon sensors in HeLa cells
Livia Giotta University of Salento A mediatorless photoelectrochemical cell based on LIFT-immobilized Reaction Centers for the amperometric detection of herbicides
Rosario Oliva University of Naples Federico II The effect of DMSO on the thermotropic properties of cholesterol-containing DPPC liposomes

For more information please visit the conference website.

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19th Annual Meeting of the Japanese Association of Theoretical Chemists

PCCP were pleased to support the 19th Annual Meeting of the Japanese Association of Theoretical Chemists took place on 23rd – 25th May 2016 at Waseda University, Japan.

Official award name

Best Presentation Award Supported by PCCP

Award Winner

Kento Kasahara

Poster title

A theory of diffusion controlled reactions in polyatomic molecule system

 

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PCCP themed issue “Developments in Density Functional Theory”

Click through to read the Themed Collection online Developments in Density Functional Theory, guest edited by Robert van Leeuwen, Johannes Neugebauer, Lucas Visscher and F. Matthias Bickelhaupt. Read the Editorial for an overview of the collection.


Editorial for PCCP themed issue “Developments in Density Functional Theory”
Robert van Leeuwen, Johannes Neugebauer, Lucas Visscher and F. Matthias Bickelhaupt
Phys. Chem. Chem. Phys., 2016,18, 20864-20867
DOI: 10.1039/C6CP90143C, Editorial

How molecular is the chemisorptive bond?
R. A. van Santen and I. Tranca
Phys. Chem. Chem. Phys., 2016,18, 20868-20894
DOI: 10.1039/C6CP01394E, Perspective

Time-dependent Dyson orbital theory
O. V. Gritsenko and E. J. Baerends
Phys. Chem. Chem. Phys., 2016,18, 20945-20954
DOI: 10.1039/C6CP00888G, Paper

Extension of the interacting quantum atoms (IQA) approach to B3LYP level density functional theory (DFT)
Peter Maxwell, Ángel Martín Pendás and Paul L. A. Popelier
Phys. Chem. Chem. Phys., 2016,18, 20986-21000
DOI: 10.1039/C5CP07021J, Paper

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7th UK-Japan Symposium

We held the 7th UK-Japan Symposium at Burlington House, bringing together 115 scientists from over 40 institutions to discuss fundamental research advances in carbon nanomaterials. These materials have many exciting potential uses, from more efficient energy storage to better drug delivery, but we can only develop these applications if we understand their chemical properties.

Professor Alexei Kornyshev from Imperial College London said: “Most of the talks were very interesting, and I established a number of new contacts, and perhaps new collaborations will come out of it. The more I deal with Royal Society of Chemistry the more I see what an amazing organization it is. There is no equivalent.”

As well as more established experts, delegates heard from some rising stars, and over forty early career researchers presented their work during an extended poster session.

Robert Parker, our Chief Executive, said: “I was particularly pleased to see so many early career researchers talking part. Looking at the great work of our poster presenters, I feel very confident about the future of carbon nanomaterials research.”

We held the event in partnership with the Chemical Society of Japan (CSJ). For the first time, we also received support from the Japan Society for the Promotion of Science, allowing us to attract an even wider audience of researchers.

It was followed a reception hosted by the Embassy of Japan to celebrate our close and long-standing partnership with the CSJ, and the even longer history of chemical collaboration between our two countries.

“I very much enjoyed the symposium and would say it was very useful and was more than I expected; the talks were very interesting and inspiring, particularly listening to people who are expert in their areas talking passionately about their work. During the poster session I had the opportunity to interact with people doing related work and I must say the comments I got were very helpful.”
Aminu Rabiu, University of Manchester, Winner of one of the PCCP Poster Prizes

“It is our hope that the symposium will provide a springboard for tomorrow’s activities in this field and contribute to strengthen our friendship. We look forward to continuing our close partnership between CSJ and RSC reflecting our deep and long history.”, said Professor Maruyama on behalf of the Chemical Society of Japan.

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Themed Collection now online – Neutron Scattering in Catalysis and Energy Materials

Click through to read the Themed Collection online Neutron Scattering in Catalysis and Energy Materials, guest edited by Richard Catlow (University College London), Stewart Parker and Ian Silverwood (ISIS Neutron and Muon Facility, STFC). Read the Editorial for an overview of the collection.

Determination of toluene hydrogenation kinetics with neutron diffraction
Marta Falkowska, Sarayute Chansai, Haresh G. Manyar, Lynn F. Gladden, Daniel T. Bowron, Tristan G. A. Youngs and Christopher Hardacre
Journal Article
Phys. Chem. Chem. Phys., 2016,18, 17237-17243
DOI: 10.1039/C6CP01494A, Paper

An investigation of the effect of carbon support on ruthenium/carbon catalysts for lactic acid and butanone hydrogenation
Daniel R. Jones, Sarwat Iqbal, Simon A. Kondrat, Giacomo M. Lari, Peter J. Miedziak, David J. Morgan, Stewart F. Parker and Graham J. Hutchings
Journal Article
Phys. Chem. Chem. Phys., 2016,18, 17259-17264
DOI: 10.1039/C6CP01311B, Paper

Bulk nanostructure of the prototypical ‘good’ and ‘poor’ solvate ionic liquids [Li(G4)][TFSI] and [Li(G4)][NO3]
Thomas Murphy, Sam K. Callear, Nageshwar Yepuri, Karina Shimizu, Masayoshi Watanabe, José N. Canongia Lopes, Tamim Darwish, Gregory G. Warr and Rob Atkin
Journal Article
Phys. Chem. Chem. Phys., 2016,18, 17224-17236
DOI: 10.1039/C6CP00176A, Paper

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