Daphne Houston – Page 6

Author Archive

Photodissociation and reaction dynamics PCCP themed collection now online and free to access

22 Jul 2019

We are delighted to announce that the Physical Chemistry Chemical Physics (PCCP) themed collection Photodissociation and reaction dynamics is now online and free to access until 1 October 2019.

Guest-edited by Andrew Orr-Ewing (University of Bristol), this themed issue highlights the latest research in the fundamental mechanisms of photochemical and chemical reactions in the gas and liquid phases, featuring both experimental and theoretical studies.

Read the full collection online

It includes:

Editorial
Photodissociation and reaction dynamics
Andrew J. Orr-Ewing
Phys. Chem. Chem. Phys., 2019, 21, 13878-13879. DOI: 10.1039/C9CP90164G

Perspective
Photoinduced C–H bond fission in prototypical organic molecules and radicals
Michael N. R. Ashfold, Rebecca A. Ingle, Tolga N. V. Karsili and Jingsong Zhang
Phys. Chem. Chem. Phys., 2019, 21, 13880-13901. DOI: 10.1039/C8CP07454B

Communication
Probing ultrafast dynamics during and after passing through conical intersections
Shunsuke Adachi, Tom Schatteburg, Alexander Humeniuk, Roland Mitrić and Toshinori Suzuki
Phys. Chem. Chem. Phys., 2019, 21, 13902-13905. DOI: 10.1039/C8CP04426K

Paper
Isotope-selective chemistry in the Be⁺(²S_1/2) + HOD → BeOD⁺/BeOH⁺ + H/D reaction
Gary K. Chen, Changjian Xie, Tiangang Yang, Anyang Li, Arthur G. Suits, Eric R. Hudson, Wesley C. Campbell and Hua Guo
Phys. Chem. Chem. Phys., 2019, 21, 14005-14011. DOI: 10.1039/C8CP06690F

Paper
How reactant polarization can be used to change the effect of interference on reactive collisions
P. G. Jambrina, M. Menéndez, A. Zanchet, E. García and F. J. Aoiz
Phys. Chem. Chem. Phys., 2019, 21, 14012-14022. DOI: 10.1039/C8CP06892E

Paper
Competition between folded and extended structures of alanylalanine (Ala-Ala) in a molecular beam
Vasyl Yatsyna, Ranim Mallat, Tim Gorn, Michael Schmitt, Raimund Feifel, Anouk M. Rijs and Vitali Zhaunerchyk
Phys. Chem. Chem. Phys., 2019, 21, 14126-14132. DOI: 10.1039/C9CP00140A

We hope you enjoy reading the articles. Please get in touch (pccp-rsc (at) rsc.org) if you have any questions about this themed collection or PCCP.

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Congratulations to the Prize Winners at the 9th Molecular Quantum Mechanics conference (MQM19)

17 Jul 2019

The 9th Molecular Quantum Mechanics conference (MQM19) was held in Heidelberg, Germany from June 30th to July 5th, 2019.

Physical Chemistry Chemical Physics were delighted to be providing poster prizes and would like to congratulate the winners.

Prizes were awarded to:

Congratulations to all the prize winners!

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PCCP’s latest Impact Factor: 3.567

20 Jun 2019

Physical Chemistry Chemical Physics (PCCP) is pleased to announce our latest Impact Factor is 3.567*

PCCP is dedicated to publishing cutting-edge original research in the fields of physical chemistry, chemical physics and biophysical chemistry. Our wide reach in the community and rapid times to publication of 60 days** from receipt to acceptance ensure your research gets the attention it deserves.

PCCP is proud to be a society journal and is co-owned by 19 national chemical societies. The journal is published by the Royal Society of Chemistry on a not-for-profit basis for the benefit of the whole scientific community.

Led by our Editorial Board Chair, David Rueda (Imperial College London), and Deputy Chair Seong Keun Kim (Seoul National University), our expert team of international Associate Editors and dedicated professional Editors ensure that PCCP is a home for urgent Communications & high quality Full Papers, authoritative Perspectives and community-led themed collections.

We would like to thank all our authors, readers, reviewers and Editorial & Advisory Board members for their continued support

Find the all the RSC’s journals newly published 2018 Impact Factors* here

*The Impact Factor provides an indication of the average number of citations per paper. Produced annually, Impact Factors are calculated by dividing the number of citations in a year, by the number of citeable articles published in the preceding two years. Data provided by 2018 Journal Citation Reports (Clarivate Analytics, 2019).

**2018 average

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Henry F Schaefer III Wins Stone Award

17 Jun 2019

Congratulations to Henry F. Schaefer III, Physical Chemistry Chemical Physics Associate Editor, Graham Perdue Professor of Chemistry and director of the Center for Computational Quantum Chemistry at the University of Georgia for winning the 2018 Charles H. Stone Award, presented every 2 years by the American Chemical Society Carolina-Piedmont Section to an outstanding chemist in the southeastern US. The award recognizes contributions to the field of chemistry through activities in the scientific community, public outreach, education, and research.

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The 29th biennial meeting of the Institute of Physics Polymer Physics Group

14 Jun 2019

The 29th biennial meeting of the Institute of Physics Polymer Physics Group will take place from 11-13 September 2019 at the University of Lincoln, UK. The early registration deadline is 19 July 2019 and poster abstract submission will remain open until 23 August 2019.

The Founders’ Prize lecture will be given by Masao Doi (Beihang University, China), and the invited speakers (confirmed) are Rachel Evans (Cambridge, UK), Marie-Pierre Laborie (Freiburg, Germany), Juan de Pablo (Chicago, USA) and James Sharp (Nottingham, UK).

Please see the conference website http://paps19.iopconfs.org/home for further details. The event is open to all with an interest.

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Official themed issue of the Bunsentagung 2019 meeting now online and free to access!

28 May 2019

The Deutsche Bunsen-Gesellschaft and Physical Chemistry Chemical Physics (PCCP) are delighted to announce that the official themed issue of the Bunsentagung 2019 meeting is now online.

Functional materials form the core of many modern technologies, e.g. in energy conversion and storage, heterogeneous catalysis, drug delivery, implants, biosensors and optical devices. The challenges in the design and characterization of modern materials are diverse and interdisciplinary. They require joint research across scientific boundaries. The most challenging tasks range from the synthesis of materials, the developments of novel experimental characterization tools and theoretical methods for atomistic description of material properties, in silico material screening for tailoring the interaction of materials with their environment and device engineering. Physical chemistry is a key scientific discipline for successful achievement of these tasks.

The issue is guest-edited by Benjamin Dietzek (Jena University), Leticia Gonzalez (University of Vienna), Christina Roth Free (University of Berlin), Sebastian Schlücker (University of Duisburg-Essen), Andrey Turchanin (Jena University), Dr Maria Wächtler (Leibniz Institute of Photonic Technology, Jena).

Read the official full collection online free until 31 August 2019.

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PCCP sponsors 9th Molecular Quantum Mechanics conference (MQM19), Heidelberg Germany, 30 June- 5 July, 2019

14 May 2019

The 9th Molecular Quantum Mechanics conference (MQM19) to be held in Heidelberg Germany from June 30^th to July 5^th, 2019.

The MQM 2019 in Germany will be held in honor of Prof. Werner Kutzelnigg, Prof. Wilfried Meyer and Prof. Sigrid Peyerimhoff and in memory of Prof. Reinhart Ahlrichs. All of these four outstanding scientists have made seminal contributions to the field of electronic structure theory, in particularly to the understanding of electron correlation phenomena and in the development of new and powerful approximation methods in this area.

All invited and contributed talks for the 9th Molecular Quantum Mechanics Conference in Heidelberg have been confirmed. The latest version of the program is available at: https://www.mqm2019.org/detailed-program/

Physical Chemistry Chemical Physics is delighted to be providing poster prizes together with book vouchers.

Registration for the conference is still open and the abstract submission deadline for posters has been extended to May 31st. Click here for registration and abstract submission

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Horizons in Hydrogen Bond Research (HBOND2019), 24 – 27 September 2019, Amsterdam

02 May 2019

HBOND2019 is the 23rd edition of the premier international conference on “Horizons in Hydrogen Bond Research” and will be taking place 24 – 27 September 2019 in Amsterdam. It gathers scientists from all over the world working in the field of hydrogen bonding research, from weak to strong interactions, studied in virtually all states of matter by a multitude of experimental and theoretical methods.

The conference will be preceded by a Young Researchers Symposium. This event on Monday, 23 September 2019 is organized by and for PhD students, and gives them the opportunity to present their research to their peers and to the participants of the main event.

Physical Chemistry Chemical Physics is delighted to be providing three poster prizes together with book vouchers.

Registration is now open!

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Gordon F. Kirkbright and Edward Steers Bursary Awards, 2020

26 Apr 2019

The Gordon F. Kirkbright bursary award is a prestigious annual award that assists a promising early career scientist of any nation to attend a recognised scientific meeting or visit a place of learning. The fund for this bursary was established in 1985 as a memorial to Professor Gordon Kirkbright in recognition of his contributions to analytical spectroscopy and to science in general.

Owing to the generosity of one of our former trustees, an eminent atomic spectroscopist, Professor Edward B.M. Steers, we are now, from 2020, in the position of being able to award an Edward Steers bursary, in addition to the long standing Gordon Kirkbright bursary, to similarly assist a promising early scientist engaged in or utilising analytical spectroscopic techniques.

The ABS Trust defines early career as being either a student, or an employee in a non-tenured academic post or in industry, within 7 years of award of PhD excluding career breaks. The same conditions apply to each bursary.

Applications are invited for both the 2020 Gordon Kirkbright Bursary and the 2020 Edward Steers Bursary. Although both funds are administered by the ABS Trust, the Kirkbright award is not restricted to spectroscopists, but is open to all involved with or utilising analytical science-based techniques.

Application Forms can be downloaded from:

http://www.abstrust.org/kirkirkbright-bursary-award-application-form
and
http://www.abstrust.org/steers-bursary-award-application-form

or for further information visit:

http://www.abstrust.org/, or contact abstrustuk@gmail.com

The closing date for entries is 30 November 2019.

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New PCCP Associate Editor, John Zhang

09 Apr 2019

We are delighted to welcome John Zhang as our newest Physical Chemistry Chemical Physics Associate Editor.

John Zhang, New York University Shanghai

ORCiD 0000-0003-4612-1863

John Zhang is professor of chemistry at New York University Shanghai and Director of NYU-ECNU Center for Computational Chemistry at NYU Shanghai. His current research focuses on protein structure and dynamics, fragment quantum chemistry study of biomolecules, polarizable force field, protein-ligand interaction, protein-protein interaction, ab initio molecular dynamics study of biomolecules and computational drug design.

Submit your best work to John now.

Read John’s latest Papers in PCCP here:
BAR-based optimum adaptive sampling regime for variance minimization in alchemical transformation: the nonequilibrium stratification
Xiaohui Wang, Xingzhao Tu, John Z. H. Zhang and Zhaoxi Sun
Phys. Chem. Chem. Phys., 2018,20, 2009-2021. DOI: 10.1039/C7CP07573A

Direct folding simulation of helical proteins using an effective polarizable bond force field
Lili Duan, Tong Zhu, Changge Ji, Qinggang Zhang and John Z. H. Zhang
Phys. Chem. Chem. Phys., 2017,19, 15273-15284. DOI: 10.1039/C7CP02101A

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