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

Congratulations to Professor Schaefer, the well-deserving 2019 recipient of the prestigious AIC Gold Medal

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

We are delighted to introduce Professor David Rueda as Physical Chemistry Chemical Physics’ new Editorial Board Chair

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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Quantum effects in complex systems: Faraday Discussion

We are delighted to announce that Quantum effects in complex systems will be held in Coventry, United Kingdom on 11 – 13 September 2019.

Nuclear quantum effects such as zero-point energy conservation, tunneling, non-adiabaticity and coherence play an important role in many complex chemical systems of technological and biological importance. Zero-point energy differences are key to understanding the experimentally-observed differences in the thermodynamic properties of normal and heavy water, while both theoretical and experimental work has highlighted the role of quantum tunnelling in enzyme-catalyzed hydrogen transfer reactions. Photochemical reactions, involving multiple potential energy surfaces, are implicitly quantum-mechanical in nature, while recent spectroscopic investigations are providing new insight into the role of quantum coherence in the efficient energy transfer processes observed in photosynthetic centers.

The challenge of understanding nuclear quantum effects in complex, many-particle systems has in recent years led to rapid growth in the development of new theoretical and experimental tools aimed at providing an atomic-level view of quantum effects. New simulation methods, such as centroid molecular dynamics, ring-polymer molecular dynamics and the linearized semi-classical initial value representation provide computationally-efficient routes to calculating quantum-dynamical properties in complex systems, while new experimental methods such as time-resolved 2-dimensional spectroscopy provide increasingly sophisticated insights into the subtle role of quantum coherence in system sizes that reach into the realms of biological complexes and conjugated polymers.

These coupled developments in both theory and experiment will undoubtedly lead to new insights into chemical processes in which quantum effects play an important role, including:

  • Biological and artificial photosynthesis
  • Hydrogen storage materials
  • Proton transfer in fuel cell materials
  • Animal magnetoreception
  • Tunnelling in enzyme-catalyzed reactions
  • Chemical reactivity at low temperatures
  • Electron transport in organic polymers

Given the rapid rate of development and broad application domains, the principal aim of this Faraday Discussion is to provide a snapshot of the current theoretical and experimental state-of-the-art in methods designed to interrogate and rationalize the role of quantum-mechanical effects in complex systems; simultaneously, this meeting will act as a new forum to discuss ideas which span the experimental/theoretical domains.

For more information, please visit the event web page.

Submit an oral/paper abstract by 3 December 2018! The poster abstract deadline is 1 July 2019.

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New PCCP Associate Editor: Chantal Daniel

We are delighted to welcome Chantal Daniel as our newest Physical Chemistry Chemical Physics Associate Editor.

Chantal Daniel, Institute of Chemistry, University of Strasbourg, France

ORCiD  0000-0002-0520-2969

Chantal Daniel is CNRS Research Director at the Institute of Chemistry, University of Strasbourg. She graduated in 1985 with a PhD on transition metal complexes excited states and strong electron correlation. She joined the Institute for Molecular Sciences Okazaki, Japan in 1986 as a JSPS fellow and the IBM Research group in Kingston, USA in 1988 as a Postdoctoral Associate.

Her research in theoretical chemistry is focused on the photophysics and photochemistry of coordination compounds and excited state properties, including quantum dynamics. Using electronic structure theory and vibronic models, the Daniel group simulated ultrafast processes in transition metal complexes used as luminescent probes, electron transfer triggers, DNA intercalators and Photoinduced release Carbonyl Materials.

“I think that PCCP is one of the best publications as meeting point for experimentalists and theoreticians working in fundamental aspects of physical chemistry and chemical physics.”

As a PCCP Associate Editor, Chantal will provide her expertise in the fields of:

  • Theory, both electronic structure and dynamics
  • Spectroscopy
  • Photochemistry and Photophysics
  • Molecular based materials

Submit your best work in these areas to Chantal now.

Read Chantal’s latest article in PCCP here:

Excited-states of a rhenium carbonyl diimine complex: solvation model, spin-orbit coupling, and vibrational sampling effects. Sebastian Mai, Hugo Gattuso, Maria Fumanal, Aurora Munoz-Losa, Antonio Monari, Chantal Daniel and Leticia Gonzalez. Phys. Chem. Chem. Phys., 2017, 19, 27240-27250. DOI: 10.1039/C7CP05126C

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2018 PCCP Emerging Investigator Lectureship: awarded to Professor Debashree Ghosh

PCCP Emerging Investigator Lectureship – to recognise and support an emerging scientist working in physical chemistry, chemical physics or biophysical chemistry who is making an outstanding contribution to their field and is at an early stage of their career.

Nominations were open to all and were made by leading researchers from around the world. The nominee list was shortlisted by the Editorial Board prior to the Fall PCCP Editorial Board meeting, at which, Professor Debashree Ghosh (Indian Association for the Cultivation of Science) was selected as the 2018 recipient.

Professor Ghosh develops and applies accurate quantum chemical methods to understand the interaction between light and coupled bio-chromophores. Electronic structure theory gives us unique tools to understand the energy states of the chromophores and their coupling to each other and therefore, gives us a glimpse into their photochemistry and photo-dynamics.

As part of the Lectureship, Professor Ghosh will be awarded a travel bursary of £1000 to attend and present at a leading international event in 2019, where she will be presented her Lectureship award. Professor Ghosh has also been invited to contribute a Perspective article to PCCP.

Many congratulations to Professor Ghosh on behalf of the PCCP Ownership Societies and Editorial Board.

Nominations for the 2019 PCCP Emerging Investigator Lectureship will open next summer, keep up to date with latest journal news on the blogTwitternewsletter and e-TOC alerts.

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New PCCP Associate Editor: Ron Naaman

We are delighted to welcome Ron Naaman as our newest Physical Chemistry Chemical Physics Associate Editor.

Ron Naaman, Weizmann Institute of Science, Israel

Born in Israel, Prof. Ron Naaman earned his BSc in 1973 from Ben-Gurion University of the Negev, and his PhD in 1978 from the Weizmann Institute of Science. He worked as a postdoctoral researcher at Stanford University in California, and spent a year in the Department of Chemistry at Harvard University. In 1981, Prof. Naaman joined the Weizmann Institute. From 1989-1995, Ron chaired the Institute’s Chemical Services Unit and from 1995-2000, he headed the Department of Chemical Physics. From 2008-2010, Prof. Naaman was the Chair of the Scientific Council at the Institute. Prof. Naaman is the incumbent of the Aryeh and Mintzi Katzman Professorial Chair.

His research focusses on studying interactions of electrons and their spin with organic and bio-related molecules.

As a PCCP Associate Editor, Ron will provide his expertise in the fields of:

  • Electron-molecule interactions
  • Organic-inorganic interfaces
  • Spintronics
  • Molecular electronics
  • Organic electronics
  • Photovoltaic devices
  • Electron transfer

Submit your best work in these areas to Ron now.

Read Ron’s latest article in PCCP here:

Bacteriorhodopsin based non-magnetic spin filters for biomolecular spintronics. Vaibhav Varade, Tal Markus, Kiran Vankayala, Noga Friedman, Mordechai Sheves, David H. Waldeck and Ron Naaman. Phys. Chem. Chem. Phys., 2018, 20, 1091-1097. DOI: 10.1039/C&CP06771B

 


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Celebrating 20 years of society collaboration in physical chemistry and chemical physics

Join us at the 7th EuCheMS Chemistry Congress, Liverpool, 26 – 30 August

We are proud to announce that PCCP is holding a symposium at the 7th EuCheMS Chemistry Congress on Monday 27th August entitled: “Celebrating 20 years of society collaboration in physical chemistry and chemical physics”. Join us at this special one-day symposium to mark volume 20 of PCCP being published, which aims to celebrate and encourage collaboration between nations across the physical chemistry and chemical physics community.

This unique event will feature scientific talks from distinguished PCCP Editorial Board members and the recipient of the 2017 PCCP Emerging Investigator Lectureship, Professor Ryan Steele (University of Utah), covering a variety of topics that reflect journal’s broad scope. The symposium also includes a panel discussion, led by the Chair of the PCCP Ownership Board, Dr Lene Hviid (Shell) on the importance and value of collaboration in the physical chemistry community for the benefit of research and individual careers.

The symposium will be led by Professor Seong Keun Kim, the Chair of PCCP and Dr Katie Lim, PCCP Executive Editor.

Confirmed speakers include:

  • Professor Kiyotaka Asakura (Institute for Catalysis, Hokkaido University)
    “The sensitivity and resolution development of X-ray spectroscopy – smaller, faster, thinner and sparser samples”
  • Professor Piero Baglioni (University of Florence)
    “Polymer hydrogel networks and complex fluid for the conservation of modern and contemporary art”
  • Professor Luis Bañares (Universidad Complutense de Madrid)
    “Molecules under strong laser fields: Shaping ultrafast photodissociation dynamics and stereodynamics”
  • Professor Anna Krylov (University of Southern California)
    “Collaboration between theory and experiment in physical chemistry and chemical physics: The whole is larger than the sum of the parts”
  • Dr Anouk Rijs (Radboud University)
    “Peptide self-assembly; one non-covalent interaction at a time”
  • Professor David Rueda (Imperial College London)
    “How Cas9 Finds Off-Targets”
  • Professor Henry Schaefer (University of Georgia)
    “Some Chemistry Involving Hypervalent Iodine”
  • Professor Ryan Steele (The University of Utah)
    “2017 PCCP Lectureship – From Electrons to Molecular Vibrations … and Back”

Join us at the the Arena and Convention Centre Liverpool (ACC Liverpool) on Monday, 27th August for this special event. For more information, see the Full Programme.

The European Association for Chemical and Molecular Sciences (EuCheMS) is holding its 7th Chemistry Congress in Liverpool, United Kingdom on 26th – 30th August 2018. The Congress is an internationally respected, large-scale event for the chemical sciences.

For more information about this exciting conference, please visit the conference web page.

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Recent Appointees in Physical Chemistry (RAPC) 2018

Recent Appointees in Physical Chemistry (RAPC) 2018

20-22 August 2018, University of Birmingham, UK.

Registration closes on 06th August 2018

RAPC provides an important forum bringing together early-career researchers and academics appointed in the last 5-years. Established colleagues will share their experiences on becoming a research leader covering topics such as the funding landscape, innovation in teaching, public engagement, publishing and commercialisation will also be covered. Dr Steven Lee (University of Cambridge) will present his Marlow Award<http://www.rsc.org/ScienceAndTechnology/Awards/MarlowAward/2017-winner.asp> winning work on single molecule fluorescence microscopy. Conference delegates are invited to present an overview of their research via oral and poster presentations. The social programme comprises of conference dinner and numerous networking opportunities.

Registration is £100 and will cover registration, accommodation, the conference dinner and meals throughout the conference.

Don’t miss this chance to build your network and to present your research. Please submit your abstract by 31st July via following link: https://www.birmingham.ac.uk/schools/chemistry/news/events/2018/recent-appointees-physical-chemistry-2018.aspx.

For any queries, please contact Dr Ruchi Gupta (r.gupta.3@bham.ac.uk).

 

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16th International Congress of Quantum Chemistry PCCP poster award winners

The 16th International Congress of Quantum Chemistry was held in Menton, France, from 18 – 23 June 2018.

Physical Chemistry Chemical Physics sponsored two poster prizes and these were awarded to Daniel Aravena, University of Santiago de Chile for Electron transport through transition metal complexes” and Christian Silvio Pomelli, University of Pisa for A computational study of the effect of ionic liquids’ anions on Reichardt’s dye solvatochromism”

Congratulations to both awardees!

 

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International Conference on Physical Chemistry and Functional Materials

The International Conference on Physical Chemistry and Functional Materials (PCFM’18) was held in Elaziğ, Turkey, from 19 – 21 June 2018.

Physical Chemistry Chemical Physics sponsored three poster prizes and these were awarded to Cesur Altinkaya,  A. Musa Abubakar and Goncagul Serdaroglu.

Congratulations to the awardees!

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