Author Archive

Open for Nominations: 2019 PCCP Emerging Investigator Lectureship and Themed Issue

Lectureship and Themed Issue details
Recognising and supporting the significant contribution of early career researchers in physical chemistry, chemical physics and biophysical chemistry, the lectureship is a platform for early career physical chemists to showcase their research to the wider scientific community.

The lectureship recipient will receive £1000 to cover travel and accommodation costs to attend and present at a leading international meeting. The recipient will also be invited to contribute a Perspective article to PCCP. In addition, selected nominees will be invited to submit to an inaugural Emerging Investigator Themed Issue.

Eligibility
To be eligible for the lectureship and themed issue, candidates must:
•    Have completed their PhD 

•    Be actively pursuing an independent research career within physical chemistry, chemical physics or biophysical chemistry.
•    Be at an early stage of their independent career (typically this will be within 10 years of completing their PhD, but appropriate consideration will be given to those who have taken a career break or followed a different study path).

Selection criteria, nomination and judging process
•    Nominations must be made via email to pccp-rsc@rsc.org using the PCCP Emerging Investigator nomination form and a letter of recommendation.
•    Nominators may only nominate one candidate for consideration per year.

•    Individuals cannot nominate themselves for consideration.
•    Selection will be made by the PCCP Editorial Board at the 2019 Fall PCCP Editorial Board meeting.
•    The Lectureship winner will be selected based on their nomination, with due consideration given to the letter of recommendation, candidate biography, research achievements, previous PCCP publications and overall publication history.
•    Selected shortlisted nominees, as chosen by the PCCP Editorial Board, will be invited to submit to an inaugural Emerging Investigator Themed Issue following the 2019 Lectureship winner selection.

Submit a nomination
To be considered for the 2019 Lectureship and Themed Issue, the following must be sent to the Editorial Office
•    A letter of recommendation
•    A complete nomination form

Submission deadline: 26 July 2019

Download nomination form

Submit nomination with letter of recommendation

 

Find out more about our previous winner’s: 
Professor Debashree Ghosh, Indian Association for the Cultivation of Science (2018 winner)
Professor Ryan P. Steele, University of Utah (2017 winner) 
Dr David Glowacki, University of Bristol (2016 winner)
Read a selection of their work in the PCCP Emerging Investigator Lectureship Winners Collection.

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Ruth Signorell, PCCP Associate Editor, celebrated with 2019 Mildred Dresselhaus Guest Professorship

PCCP are delighted to report that Ruth Signorell, Associate Editor has been awarded Mildred Dresselhaus Guest Professorship.

Ruth Signorell has been Professor at the Department of Chemistry and Applied Biosciences at ETH Zurich since November 2012. Her research group works in the area of spectroscopy of clusters and aerosol particles. The current focus is on photoelectron spectroscopy and optical trapping of single aerosol particles.

 A PCCP Associate Editor since 2016, Ruth considers submissions in her field of expertise: clusters and aerosols experimental physical chemistry.

Submit to Ruth now here.

 

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Celebrating International Women’s Day: by Anna Krylov

March 8, Year 2019:  International women day #108.

“Long gone are the days when women had to fight for the most basic rights, such as making their own financial and medical decisions, voting, or pursuing a degree or a profession of their choice. Yet, the gender equality remains elusive: All fun and rewarding careers remain male dominated, be it science, tech, finance, law, medicine, or entertainment. And within each profession, the representation of women at the top echelons is much lower than at the base of the pyramid. Why so? Professional leadership groups and scientists worldwide are looking for answers and trying to identify and remove the obstacles for the advancement of women.

“The Royal Society of Chemistry has recently published a report on “Breaking the barriers in which the reasons for the leaky pipeline in the UK academia are investigated. Consistently with similar studies, the main finding is that there is no single reason and, consequently, there is no simple solution.

“The report contains a number of recommendations and suggestions to funding agencies, institutions, and professional organizations. Some of them are no-brainers, like lowering the tolerance for harassment, improving the childcare options, and importance of mentoring . But other points raised in the report need to be, in my opinion, carefully considered. For example, the report’s critique of the current academic culture and funding models can be perceived as a suggestion that the expectations of scientific excellence and high productivity need to be lowered for women, which is of course untrue and unproductive.

“What I think we need to focus more on, is to identify what individual female researches can do to advance their own career. And what pitfalls they should try to avoid. An example of such positive and inner-looking write up is the Lean in” book by Sheryl Sandberg. Although I do not agree with all of its content, I find its general spirit empowering and specific advice useful.

“My personal opinion notwithstanding, the studies, discussions, and conversations about many different aspects of gender equality are important for us as a society.”

Find out more about “Breaking the barriers” here:

 

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Anna Krylov, PCCP Associate Editor, celebrated with Mildred Dresselhaus Guest Professorship

PCCP are delighted to report that Anna Krylov, Associate Editor has been awarded Mildred Dresselhaus Guest Professorship.

Researching “molecules and light”, Anna is currently spending her Guest Professorship sabbatical year at Universitat Hamburg.

 

“Hamburg is where theory and experiment together are pushing the frontiers of light science,” she says.

Anna Krylov believes that failures are instrumental to success. Credit: UHH/CUI, Adler

Read more about Anna, her motivations and her sabbatical plans here:

Maximal satisfaction comes from solving the hardest problems

(more…)

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Challenges in spectroscopy: accuracy vs interpretation from isolated molecules to condensed phases themed collection now online

We are delighted to announce that the Physical Chemistry Chemical Physics (PCCP) themed collection Challenges in spectroscopy: accuracy vs interpretation from isolated molecules to condensed phases is now online and free to access until 15 April 2019.

Guest-edited by Cristina Puzzarini (Università di Bologna), Maria J. Ramos (Universidade do Porto) and Maria Pilar de Lara-Castells (CSIC Madrid), the special issue is a collection of the latest research outcomes in the modelling of spectroscopic properties of chemical systems spanning from isolated molecules to condensed phases, with particular focus on accuracy and interpretative capabilities of computational methodologies and the interplay of experiment and theory.

It includes:

Editorial 
Challenges in spectroscopy: accuracy versus interpretation from isolated molecules to condensed phases
Cristina Puzzarini, Maria Pilar de Lara-Castells and Maria J. Ramos
Phys. Chem. Chem. Phys., 2019, 21, 3395-3396. DOI: 10.1039/C9CP90025J
 
Perspective 
Quantum approaches to vibrational dynamics and spectroscopy: is ease of interpretation sacrificed as rigor increases?
Chen Qu and Joel M. Bowman
Phys. Chem. Chem. Phys., 2019, 21, 3397-3413. DOI: 10.1039/C8CP04990D
 
Perspective 
On the prediction of core level binding energies in molecules, surfaces and solids
Francesc Viñes, Carmen Sousa and Francesc Illas
Phys. Chem. Chem. Phys., 2018, 20, 8403-8410. DOI: 10.1039/C7CP08503F

Paper 
Far-IR and UV spectral signatures of controlled complexation and microhydration of the polycyclic aromatic hydrocarbon acenaphthene
Alexander K. Lemmens, Sébastien Gruet, Amanda L. Steber, Jens Antony, Stefan Grimme, Melanie Schnell and Anouk M. Rijs
Phys. Chem. Chem. Phys., 2019, 21, 3414-3422. DOI: 10.1039/C8CP04480E
 
Paper 
Rovibrational quantum dynamics of the vinyl radical and its deuterated isotopologues
Jan Šmydke, Csaba Fábri, János Sarka and Attila G. Császár
Phys. Chem. Chem. Phys., 2019, 21, 3453-3472. DOI: 10.1039/C8CP04672G

Paper 
Theoretical insight into joint photodynamic action of a gold(I) complex and a BODIPY chromophore for singlet oxygen generation
Bruna C. De Simone, Gloria Mazzone, Wichien Sang-aroon, Tiziana Marino, Nino Russo and Emilia Sicilia
Phys. Chem. Chem. Phys., 2019, 21, 3446-3452. DOI: 10.1039/C8CP04848G

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PCCP Associate Editor Henry F. Schaefer III awarded American Institute of Chemists Gold Award

First presented by the American Institute of Chemists (AIC) in 1926, the Gold Medal is the AIC’s highest
award. It recognizes service to the science of chemistry and to the profession of chemistry or chemical engineering in the United States. Previous winners include a number of Nobel laureates Glenn T. Seaborg and Herbert C. Brown, as well as other renowned researchers and scientists representing the many facets of the world of chemistry. Recent medalists include Ronald Breslow, Jacqueline Barton, Chad Mirkin, Stephen Lippard and Gerald Meyer.

PCCP is delighted to learn that Associate Editor Henry F. Schaefer III has been selected to receive the 2019 American Institute of Chemists Gold Medal.

Professor Henry F. Schaefer III is currently Graham Perdue Professor of Chemistry and Director of the Center for Computational Quantum Chemistry at the University of Georgia, USA. His research involves the use of state-of-the-art computational hardware and theoretical methods to solve important problems in molecular quantum mechanics.

Read his recent research:

Paper 
The reaction of alkyl hydropersulfides (RSSH, R = CH3 and tBu) with H2S in the gas phase and in aqueous solution
Linxing Zhang, Xinhao Zhang, Yun-Dong Wu, Yaoming Xie, Jon M. Fukuto and Henry F. Schaefer
Phys. Chem. Chem. Phys., 2019, Advance Article. DOI: 10.1039/C8CP05503C

Paper 
The bismuth tetramer Bi4: the ν3 key to experimental observation
Mitchell E. Lahm, Preston R. Hoobler, Justin M. Turney, Kirk A. Peterson and Henry F. Schaefer
Phys. Chem. Chem. Phys., 2018, 20, 21881-21889. DOI: 10.1039/C8CP03529F

Paper 
Vibrational frequencies, structures, and energetics of the highly challenging alkali metal trifluorides MF3 (M = Li, Na, K, Rb, and Cs)
Zhi Sun and Henry F. Schaefer
Phys. Chem. Chem. Phys., 2018, 20, 18986-18994. DOI: 10.1039/C8CP03434F

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Introducing PCCP’s new Editorial Board Chair David Rueda

David Rueda, Imperial College London, UK

Having served on the Physical Chemistry Chemical Physics (PCCP) Editorial Board as Deputy Chair, David looks forward to his new role as Editorial Board Chair.
 
“It’s an honour to Chair the Editorial Board of Physical Chemistry Chemical Physics in 2019.
 
“In this new role, I look forward to assisting the Editorial Board to maintain the high-quality standards of our journal.”
 
Submit your best physical chemistry, chemical physics and biophysical chemistry research today.

 

David’s research involves the development of quantitative single-molecule approaches to investigate the interactions between proteins and nucleic acids to elucidate the mechanism of complex biochemical reactions.

Find out more about David here or read his recent PCCP article:

Paper 
Reduced structural flexibility for an exonuclease deficient DNA polymerase III mutant
Hailey L. Gahlon, Alice R. Walker, G. Andrés Cisneros, Meindert H. Lamers and David S. Rueda
Phys. Chem. Chem. Phys., 2018, 20, 26892-26902. DOI: 10.1039/C8CP04112A

David has selected some of the most outstanding physical chemistry and chemical physics research from the past year to share with you. Read them now for free until the end of March 2019:

Paper
Consequences of Mg2+ binding on the geometry and stability of RNA base pairs
Antarip Halder, Rohit Roy, Dhananjay Bhattacharyya and Abhijit Mitra
Phys. Chem. Chem. Phys., 2018, 20, 21934-21948. DOI: 10.1039/C8CP03602K

Paper
Conformational changes of DNA induced by a trans-azobenzene derivative via non-covalent interactions
Hong Zhang, Haohao Fu, Xueguang Shao, Christophe Chipot, Antonio Monari, François Dehez and Wensheng Cai
Phys. Chem. Chem. Phys., 2018, 20, 22645-22651. DOI: 10.1039/C8CP03836H
 
Paper
Turn-off mode fluorescent norbornadiene-based photoswitches
Behabitu Ergette Tebikachew, Fredrik Edhborg, Nina Kann, Bo Albinsson and Kasper Moth-Poulsen
Phys. Chem. Chem. Phys., 2018, 20, 23195-23201. DOI: 10.1039/C8CP04329A

To keep up to date the latest physical chemistry and chemical physics research and other journal news, sign up to the e-alerts.

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Changes to PCCP Communication articles

PCCP Communications are urgent reports of highly original and significant work likely to have a high impact on the community and of such importance that rapid publication is justified.

We are making some changes to the format of PCCP Communications to ensure they are succinctly communicating the most urgent research.

 

From 1st August 2018, all Communications articles submitted to PCCP must:

  • Not exceed 4 printed journal pages
  • Be submitted on a Communications template
  • Include 4 or fewer figures including tables
  • Be submitted with a short statement justifying why the work merits urgent publication as a Communication

 

PCCP Communications are:

  • given priority treatment
  • fast-tracked through the publication process
  • appear prominently at the front of the journal in a dedicated Communications section ensuring rapid exposure 

 

Submit your most urgent work as a Communication here now!

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PCCP Themed Collection: Theory, experiment, and simulations in laboratory astrochemistry

Guest-edited by Laurent Wiesenfeld (Université Grenoble Alpes), Allan Shi-Chung Cheung (The University of Hong Kong) and Jos Oomens (Radboud University), this themed issue of PCCP overviews the recent developments showing physical insights in the areas of theory, experiment, and simulation as applied to molecular astrophysics environments.

Read the full collection here now!

It includes:

Editorial 
Theory, experiment, and simulations in laboratory astrochemistry
Laurent Wiesenfeld, Jos Oomens and Allan S. C. Cheung
Phys. Chem. Chem. Phys., 2018, 20, 5341-5343. DOI: 10.1039/C8CP90026D

Perspective 
Spectroscopy of prospective interstellar ions and radicals isolated in para-hydrogen matrices
Masashi Tsuge, Chih-Yu Tseng and Yuan-Pern Lee
Phys. Chem. Chem. Phys., 2018, 20, 5344-5358. DOI: 10.1039/C7CP05680J

Paper 
A general method for the inclusion of radiation chemistry in astrochemical models
Christopher N. Shingledecker and Eric Herbst
Phys. Chem. Chem. Phys., 2018, 20, 5359-5367. DOI: 10.1039/C7CP05901A

Paper 
Radiation chemistry of solid acetone in the interstellar medium – a new dimension to an old problem
L. Hudson
Phys. Chem. Chem. Phys., 2018, 20, 5389-5398. DOI: 10.1039/C7CP06431D

Paper 
Dissociative ionisation of adamantane: a combined theoretical and experimental study
Alessandra Candian, Jordy Bouwman, Patrick Hemberger, Andras Bodi and Alexander G. G. M. Tielens
Phys. Chem. Chem. Phys., 2018, 20, 5399-5406. DOI: 10.1039/C7CP05957D

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Open for Nominations: 2018 PCCP Emerging Investigator Lectureship

Lectureship details
Recognizing and supporting the significant contribution of early career researchers in physical chemistry, chemical physics and biophysical chemistry, the lectureship is a platform for an early career physical chemist to showcase their research to the wider scientific community.

The recipient will receive £1000 to cover travel and accommodation costs to attend and present at a leading international meeting hosted by a PCCP Owner society. The recipient will also be invited to contribute a Perspective article to PCCP.

Launched with great success in 2016, previous winner’s include: 

Dr David Glowacki, University of Bristol (2016 winner) and

Professor Ryan P. Steele, University of Utah (2017 winner).

Read a selection of their work in the PCCP Emerging Investigator Lectureship Themed Collection.

Eligibility
To be eligible for the lectureship, candidates must:
•    Have completed their PhD 

•    Be actively pursuing an independent research career within physical chemistry, chemical physics or biophysical chemistry.
•    Be at an early stage of their independent career (typically this will be within 10 years of completing their PhD, but appropriate consideration will be given to those who have taken a career break or followed a different study path).

Selection criteria, nomination and judging process
•    Nominations must be made via email to pccp-rsc@rsc.org using the PCCP Emerging Investigator Lectureship nomination form and a letter of recommendation.
•    Individuals cannot nominate themselves for consideration.
•    Selection will be made by the PCCP Editorial Board at the 2018 PCCP Editorial Board meeting.
•    The winner will be selected based on their nomination, with due consideration given to the letter of recommendation, candidate biography, research achievements, previous PCCP publications and overall publication history.

Submit a nomination
To be considered for the 2018 Lectureship, the following must be sent to the Editorial Office
•    A letter of recommendation
•    A complete nomination form

Submission deadline: 20th June 2018

Download nomination form

Submit nomination with letter of recommendation

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