RSC Theoretical Chemistry Group Conference

The Theoretical Chemistry Group of the Royal Society of Chemistry is pleased to announce the TCG conference 2018, which will be held at the University of Sheffield between 16 – 18 July.

The meeting will cover a broad spectrum of theoretical and computational chemistry, including talks by leading international and UK scientists. It will also incorporate the TCG Graduate Student Meeting, where final-year graduate students compete for the Coulson prize for the best graduate student talk.

Confirmed speakers:
  • Christine Mottet (Centre Interdisciplinaire de Nanoscience de Marseille, France)
  • Karen Johnston (University of Strathclyde, UK)
  • Paul Popelier (The University of Manchester, UK)
  • Daniel T. Crawford (Virginia Tech, USA)
  • Marie-Pierre Gaigeot (University of Evry, France)

For more information, please visit the conference web page.

Physical Chemistry Chemical Physics (PCCP) is pleased to support the meeting and will provide a prize for the best graduate student talk.

The deadline for registration is 8 June. The deadlines for talk and poster abstracts are 18 May and 1 June, respectively.

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98th Chemical Society of Japan Annual Meeting PCCP Prize Winners!

The 98th Chemical Society of Japan Annual Meeting took place in Funabashi, Japan between the 20-23 March 2018. The Royal Society of Chemistry’s Hiromitsu Urakami attended the meeting and PCCP Prize Certificates for Outstanding Achievement of Young Scientists in Physical Chemistry and Chemical Physics were awarded to:

  1. Dr Daishi Fujita, University of Tokyo: “Geometric control of molecular self-assembly”
  2. Dr Hideto Ito, Nagoya University: “Development of Precise Synthetic Methodologies for 1D and 2D Nanocarbon Architectures”
  3. Dr Emiko Kazuma, RIKEN: “Real-time and Real-space Observation of Single-Molecule Chemical Reaction Induced by Localized Surface Plasmon”
  4. Dr Toshiki Sugimoto, Kyoto University: “Unveiling Emergent Properties of Strongly Correlated and Frustrated Proton System: Sum-Frequency-Generation Spectroscopy of Heteroepitaxial Water Ice “

Top row, L-R: Yoshito Watanabe (Nagoya Univ, CSJ Academic Research Activation Committee Chair), Katsuhiko Ariga (National Institute for Materials Science, PCCP Prize Selection Committee), Atsushi Nakajima (Keio Univ, PCCP Prize Selection Committee)
Bottom row, L-R: Toshiki Sugimoto, Daishi Fujita, Hisashi Yamamoto (Chubu Univ, CSJ President), Yasuhiro Iwasawa (The University of Electro-Communications, PCCP Prize selection committee chair), Hiromistu Urakami, Hideto Ito, Emiko Kazuma

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Outstanding Reviewers for Physical Chemistry Chemical Physics in 2017

We would like to highlight the Outstanding Reviewers for Physical Chemistry Chemical Physics in 2017, 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.

Dr Leonardo Bernasconi, STFC Rutherford Appleton Laboratory, ORCID: 0000-0002-9460-7975

Dr Gunther Brunklaus, University of Münster, ORCID: 0000-0003-0030-1383

Dr Sergei Manzhos, National University of Singapore, ORCID: 0000-0001-8172-7903

Dr Karolina Milowska, University of Cambridge, ORCID: 0000-0002-1765-759X

Dr Isao Ohkubo, National Institute for Materials Science (NIMS), ORCID: 0000-0002-4187-0112

Dr Aurelien Perera, Université Pierre et Marie CURIE, ORCID: 0000-0001-9119-6659

Professor Antonio Rizzo, Consiglio Nazionale Delle Ricerche – Area della Ricerca di Pisa, ORCID: 0000-0003-3037-5906

Dr Keisuke Takahashi, National Institute for Materials Science (NIMS), ORCID: 0000-0002-9328-1694

Professor Leonidas Tsetseris, National Technical University of Athens, ORCID: 0000-0002-0330-0813

Dr Hai Xiao, California Institute of Technology, ORCID: 0000-0001-9399-1584

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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Mourning the loss of Professor Gaoquan Shi

The physical chemistry community mourns the loss of Professor Gaoquan Shi, who recently passed away.

Photograph of Gaoquan Shi

We are sad to announce that Professor Gaoquan Shi passed away on the 1st March 2018. Gaoquan will be sorely missed by PCCP and the entire community. A PCCP Associate Editor for over five years, his contributions to the journal, field and community were widespread.

As a Professor of Chemistry at Tsinghua University, his research interests were focused on functional polymers, especially the syntheses and applications of conducting polymers and carbon nanomaterials.

A selection of Gaoquan’s recently published articles are highlighted below in his memory.

Paper 
High-performance gas sensors based on a thiocyanate ion-doped organometal halide perovskite
Yue Zhuang, Wenjing Yuan, Liu Qian, Shan Chen and Gaoquan Shi
Phys. Chem. Chem. Phys., 2017, 19, 12876-12881. DOI: 10.1039/C7CP01646H

Communication 
Pyridinic nitrogen-rich carbon nanocapsules from a bioinspired polydopamine derivative for highly efficient electrocatalytic oxygen reduction
Zhengran Yi, Zheye Zhang, Shuai Wang and Gaoquan Shi
J. Mater. Chem. A, 2017, 5, 519-523. DOI: 10.1039/C6TA09315A
 
Edge Article 
Water-enhanced oxidation of graphite to graphene oxide with controlled species of oxygenated groups
Ji Chen, Yao Zhang, Miao Zhang, Bowen Yao, Yingru Li, Liang Huang, Chun Li and Gaoquan Shi
Chem. Sci., 2016, 7, 1874-1881. DOI: 10.1039/C5SC03828F

Review Article 
Flexible graphene devices related to energy conversion and storage
Xiluan Wang and Gaoquan Shi
Energy Environ. Sci., 2015, 8, 790-823. DOI: 10.1039/C4EE03685A

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Themed collection now online: Complex molecular systems: supramolecules, biomolecules and interfaces

Guest-edited by Tahei Tahara (RIKEN), Akio Kitao (University of Tokyo), Yasuhisa Mizutani (Osaka University), Hideki Kandori (Nagoya Institute of Technology) and Masaaki Fujii (Tokyo Institute of Technology), the special issue is a collection which brings together the most recent studies of this important and emerging field of physical chemistry and chemical physics.

We are delighted to announce that the Physical Chemistry Chemical Physics (PCCP) themed collection Complex molecular systems: supramolecules, biomolecules and interfaces is now online. 

It includes:

Editorial 
Complex molecular systems: a frontier of molecular science
Tahei Tahara, Akio Kitao, Yasuhisa Mizutani, Hideki Kandori and Masaaki Fujii
Phys. Chem. Chem. Phys., 2018, 20, 2945-2946. DOI: 10.1039/C8CP90010H

Perspective 
Multiscale methods framework: self-consistent coupling of molecular theory of solvation with quantum chemistry, molecular simulations, and dissipative particle dynamics
Andriy Kovalenko and Sergey Gusarov
Phys. Chem. Chem. Phys., 2018, 20, 2947-2969. DOI: 10.1039/C7CP05585D

Communication 
The effect of regioisomerism on the photophysical properties of alkylated-naphthalene liquids
Narayan, K. Nagura, T. Takaya, K. Iwata, A. Shinohara, H. Shinmori, H. Wang, Q. Li, X. Sun, H. Li, S. Ishihara and T. Nakanishi
Phys. Chem. Chem. Phys., 2018, 20, 2970-2975. DOI: 10.1039/C7CP05584F

Paper 
Protonation/reduction dynamics at the [4Fe–4S] cluster of the hydrogen-forming cofactor in [FeFe]-hydrogenases
Moritz Senger, Stefan Mebs, Jifu Duan, Olga Shulenina, Konstantin Laun, Leonie Kertess, Florian Wittkamp, Ulf-Peter Apfel, Thomas Happe, Martin Winkler, Michael Haumann and Sven T. Stripp
Phys. Chem. Chem. Phys., 2018, 20, 3128-3140. DOI: 10.1039/C7CP04757F

Paper 
Analysis of the conformational properties of amine ligands at the gold/water interface with QM, MM and QM/MM simulations
Dongyue Liang, Jiewei Hong, Dong Fang, Joseph W. Bennett, Sara E. Mason, Robert J. Hamers and Qiang Cui
Phys. Chem. Chem. Phys., 2018, 20, 3349-3362. DOI: 10.1039/C7CP06709G

We hope you enjoy reading the articles. Please get in touch if you have any questions about this themed collection or PCCP.

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Understanding and Reconstructing Biointerfaces with 3D Soft Nanolithography: Faraday Discussion

We are delighted to announce that Understanding and Reconstructing Biointerfaces with 3D Soft Nanolithography will be held in London, United Kingdom on 3 – 5 July 2019.

Recently, groups from different fields have been making significant advances in creating the printing tools, chemical reactions, and analytical approaches for developing and studying 3D nanostructures composed of glycans and glycomimetics. This Faraday Discussion aims to bring these communities together in a single symposium to create a new language for approaching the challenge of carbohydrate-based biointerfaces ranging from researchers who focus entirely on printing tools, surface chemistry, binding thermodynamics, and glycobiology, and others whose nascent efforts to combine these are leading to groundbreaking new materials and a revolutionary understanding of these unconventional surface interactions, where multivalency and cooperativity have an outsized role. This symposium will show how chemistry, particularly the combination of physical and organic chemistry, will continue to drive advances in the field, and provide new approaches to understanding, and in turn, creating biomimetic materials with precisely controlled nanoscale structure in three dimensions.

The themes of this Faraday Discussion will be:

  • Multidimensional Micro- and Nano-printing Technologies
  • Preparation of Multivalent Glycan Micro- and Nano-Arrays
  • Glycan Interactions on Glycocalyx Mimetic Surfaces
  • New Directions in Surface Functionalization and Characterization

For more information, please visit the event web page.

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16th International Congress of Quantum Chemistry

The 16th International Congress of Quantum Chemistry (16th ICQC) will be held in ‘le Palais de l’Europe’ in the town of Menton, France, between 18−23 June 2018. It brings together the international community of theoretical chemists in the form of a one-week conference aimed at presenting the state of the art and latest advances in terms of developments and applications in the field of theoretical and computational chemistry.

Physical Chemistry Chemical Physics (PCCP) is pleased to be supporting the meeting and will provide two poster prizes.

Register now: the deadline for registration is 31 May 2018 and abstract submission will close on 15 May 2018.

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Tulip VII Summer School on Modern Developments in Spectroscopy

The Holland Research School of Molecular Chemistry will be hosting the Tulip VII Summer School on Modern Developments in Spectroscopy taking place between 3-6 April 2018. Highly qualified scientists will present introductory and specialized lectures on various topics in the field of spectroscopic and dynamical studies of molecular systems.

The topics range from frequency resolved spectroscopic studies of gaseous biomolecules, time-resolved studies in chemical and biological systems, dynamics in proteins and membranes, photodissociation dynamics, dynamics and control in femtochemistry, and molecular nanophotonics.

Physical Chemistry Chemical Physics (PCCP) is pleased to support the Summer School and will provide  poster prizes.

Register now!

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2017 PCCP HOT Articles collection – online and free to access

We are delighted to announce that the 2017 PCCP HOT Articles collection is now online and free to access until the end of February 2018.

This collection showcases all 2017 Physical Chemistry Chemical Physics (PCCP) articles highlighted as HOT by the handling editor.  Congratulations to all the authors whose articles are featured.

Read it here now for free until the end of February 2018!

It includes:

Perspective 
Solid surface vs. liquid surface: nanoarchitectonics, molecular machines, and DNA origami
Katsuhiko Ariga, Taizo Mori, Waka Nakanishi and Jonathan P. Hill
Phys. Chem. Chem. Phys., 2017, 19, 23658-23676. DOI: 10.1039/C7CP02280H

Perspective 
Carbon nitrides: synthesis and characterization of a new class of functional materials
S. Miller, A. Belen Jorge, T. M. Suter, A. Sella, F. Corà and P. F. McMillan
Phys. Chem. Chem. Phys., 2017, 19, 15613-15638. DOI: 10.1039/C7CP02711G

Perspective 
Curly arrows, electron flow, and reaction mechanisms from the perspective of the bonding evolution theory
Juan Andrés, Patricio González-Navarrete, Vicent Sixte Safont and Bernard Silvi
Phys. Chem. Chem. Phys., 2017, 19, 29031-29046. DOI: 10.1039/C7CP06108K

Communication 
Mechanism and kinetics of the electrocatalytic reaction responsible for the high cost of hydrogen fuel cells
Tao Cheng, William A Goddard, Qi An, Hai Xiao, Boris Merinov and Sergey Morozov
Phys. Chem. Chem. Phys., 2017, 19, 2666-2673. DOI: 10.1039/C6CP08055C

Paper 
Influence of orientation mismatch on charge transport across grain boundaries in tri-isopropylsilylethynyl (TIPS) pentacene thin films
Florian Steiner, Carl Poelking, Dorota Niedzialek, Denis Andrienko and Jenny Nelson
Phys. Chem. Chem. Phys., 2017, 19, 10854-10862. DOI: 10.1039/C6CP06436A

Paper 
Influence of cations in lithium and magnesium polysulphide solutions: dependence of the solvent chemistry
Georg Bieker, Julia Wellmann, Martin Kolek, Kirsi Jalkanen, Martin Winter and Peter Bieker
Phys. Chem. Chem. Phys., 2017, 19, 11152-11162. DOI: 10.1039/C7CP01238A

Paper 
Covalent-reaction-induced interfacial assembly to transform doxorubicin into nanophotomedicine with highly enhanced anticancer efficiency
Chenchen Qin, Jinbo Fei, Ganglong Cui, Xiangyang Liu, Weihai Fang, Xiaoke Yang, Xingcen Liu and Junbai Li
Phys. Chem. Chem. Phys., 2017, 19, 23733-23739. DOI: 10.1039/C7CP02543B

We hope you enjoy reading the articles.

Is your research HOT? Our editors are already handpicking the hottest 2018 content for our rolling 2018 PCCP HOT Articles collection. Submit your work for consideration now.

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Isolated Biomolecules Biomolecular Interactions (IBBI12018)

The 10th edition of the Isolated Biomolecules Biomolecular Interactions (IBBI2018) will be held in Texel, The Netherlands from 8-13 April 2018. IBBI2018 will provide a scientifically stimulating and interesting program, with oral and poster presentations, lively discussions with other scientists in the field and social events.

“The IBBI conference series  bring together scientists from all over the world to present and discuss the most recent advances on Isolated Biomolecules and Biomolecular Interactions. The focus of the IBBI conferences lies on gaseous molecules of biological interest studied by spectroscopic, mass-spectrometric and theoretical methods, but also contributions addressing new, emerging and related techniques are welcomed”.

Physical Chemistry Chemical Physics (PCCP) Associate Editor Anouk Rijs will be organising and chairing the conference.

PCCP and Analyst are pleased to support the meeting and provide four poster prizes.

The deadline for early-bird registration is 31 January. Late registration will close on 15 March.

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