PCCP Deputy Chair Anouk Rijs receives NWO Vici Grant

We are delighted to learn that Anouk Rijs, PCCP‘s Deputy Chair of the Editorial Board has been award 1.5 million Euros as a Vici grant from the Dutch Research Council (NWO).

With this grant she aims to unravel and ultimately control the peptide aggregation mechanism. To be able to do this, Anouk will develop a novel experimental 4-dimensional methodology that will probe structure and kinetics in one single experiment.

Anouk says: “I immersed myself in different techniques over the past years, that we now advance and bring together in one-single experiment. With this new technology and light from the infrared laser FELIX, we will be able to unravel the secrets of the aggregation process. With the ultimate goal to slow down or even stop the development of neurodegenerative diseases.  This social impact we can have by using new technology and ground breaking science is of course an extra incentive. ”

Find out more from the FELIX laboratory News announcement here: https://www.ru.nl/felix/news-events/news/news-items/nwo-vici-grant-anouk-rijs/

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

XFELs: cutting edge X-ray light for chemical and material sciences PCCP themed issue now online and free to access

We are delighted to announce that the Physical Chemistry Chemical Physics (PCCP) themed issue XFELs: cutting edge X-ray light for chemical and material sciences is now online and free to access until the end of May 2020.

XFELs (X-ray free electron lasers) provide a coherent, monochromatic and ultra-short pulse X-ray light. This enables experiments into the ultrafast dynamics of electron excitation and chemical reactions, and coherent imaging of materials.

Guest Edited by Professor Kiyotaka Asakura, Professor Kelly Gaffney,Dr Chris Milne and Dr Makina Yabashi, this collection reviews the very recent achievements of XFELs in chemical and material sciences.

Read the full issue online
It includes:

Editorial
XFELs: cutting edge X-ray light for chemical and material sciences
Kiyotaka Asakura, Kelly J. Gaffney, Christopher Milne and Makina Yabashi
Phys. Chem. Chem. Phys., 2020, 22, 2612-2614. DOI: 10.1039/C9CP90304F

Paper
Direct observation of the electronic states of photoexcited hematite with ultrafast 2p3d X-ray absorption spectroscopy and resonant inelastic X-ray scattering
Ahmed S. M. Ismail, Yohei Uemura, Sang Han Park, Soonnam Kwon, Minseok Kim, Hebatalla Elnaggar, Federica Frati, Yasuhiro Niwa, Hiroki Wadati, Yasuyuki Hirata, Yujun Zhang, Kohei Yamagami, Susumu Yamamoto, Iwao Matsuda, Ufuk Halisdemir, Gertjan Koster, Bert M. Weckhuysen and Frank M. F. de Groot
Phys. Chem. Chem. Phys., 2020, 22, 2685-2692. DOI: 10.1039/C9CP03374B

Paper
Resolving structures of transition metal complex reaction intermediates with femtosecond EXAFS
Alexander Britz, Baxter Abraham, Elisa Biasin, Tim Brandt van Driel, Alessandro Gallo, Angel T. Garcia-Esparza, James Glownia, Anton Loukianov, Silke Nelson, Marco Reinhard, Dimosthenis Sokaras and Roberto Alonso-Mori
Phys. Chem. Chem. Phys., 2020, 22, 2685-2692. DOI: 10.1039/C9CP03374B

Paper
Design of a liquid cell toward three-dimensional imaging of unidirectionally-aligned particles in solution using X-ray free-electron lasers
Akihiro Suzuki, Takashi Kimura, Ying Yang, Yoshiya Niida, Akiko Nishioka, Tatsuro Tachibana, Masashi Takei, Kensuke Tono, Makina Yabashi, Tetsuya Ishikawa, Tairo Oshima, Yoshitaka Bessho, Yasumasa Joti and Yoshinori Nishino
Phys. Chem. Chem. Phys., 2020, 22, 2622-2628. DOI: 10.1039/C9CP03658J

Paper
Core–valence-separated coupled-cluster-singles-and-doubles complex-polarization-propagator approach to X-ray spectroscopies
Rasmus Faber and Sonia Coriani
Phys. Chem. Chem. Phys., 2020, 22, 2642-2647. DOI: 10.1039/C9CP03696B

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

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

The 11th conference on Isolated Biomolecules and Biomolecular Interactions (IBBI)

The 11th conference on Isolated Biomolecules and Biomolecular Interactions (IBBI) will take place from 19-24 April 2020 in Bad Duerkheim, Germany.  Scientists from all over the world working in the fields of spectroscopy, mass spectrometry and theory interested in isolated biomolecules meet for exciting discussions and exchange.

The early registration deadline is 31 January 2020 and the abstract submission will be possible until 28 February 2020.

Physical Chemistry Chemical Physics and Analyst are delighted to be providing poster prizes together with book vouchers.

Please see the conference website for more details www.ibbi2020.de

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

New PCCP Associate Editor, Prabal Maiti

We are delighted to welcome Prabal Maiti as our newest Physical Chemistry Chemical Physics Associate Editor.

 

Prabal Maiti, Indian Institute of Science

Prabal K. Maiti is Professor and currently the chair in the Department of Physics, Indian Institute of Science, Bangalore. He works in the area of Multiscale Modelling of Soft and Bio-materials. His major research goal is to pursue theoretical and numerical modelling connecting molecular and macroscopic length scales to improve basic understanding of various soft-matter and biological systems, both from a fundamental and an applied point of view. Areas of current research interest include structure and dynamics of hyperbranched and conjugated polymer, charge transport in molecular systems, DNA-based nanotechnology, and confined fluid. Prof Maiti received his M.Sc and Ph.D. degrees in Physics from IIT, Kanpur, India followed by postdoctoral stays at MPIP, Mainz, the University of Colorado at Boulder, and Caltech, USA. He is a fellow of Indian academy of Science and recipient of Alexander von Humboldt fellowship and Fulbright fellowship.

Submit your best work to Prabal now.

Read Prabal’s latest Papers in PCCP here:

Tuning molecular fluctuation to boost the conductance in DNA based molecular wires
Saientan Bag and Prabal K. Maiti
Phys. Chem. Chem. Phys., 2019, 21, 23514-23520. DOI: 10.1039/C9CP03589C

Phys. Chem. Chem. Phys., 2018, 20, 28920-28928. DOI: 10.1039/C8CP03574A

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

2019 PCCP Emerging Investigator Lectureship: awarded to Dr Federico Calle-Vallejo!

The PCCP Lectureship and themed issue recognise and support emerging scientists working in physical chemistry, chemical physics or biophysical chemistry, who are making outstanding contributions to their field, at an early stages of their careers.

In 2019, nominations were open to all and were made by leading researchers from around the world. After careful deliberation, Dr Federico Calle-Vallejo (University of Barcelona, Spain) was selected as the 2019 recipient by the PCCP Editorial Board. In addition, a number of the outstanding shortlisted nominees were selected and have been invited to contribute to the inaugural themed collection, which will be published in 2020.

Federico Calle-Vallejo is currently a Ramón y Cajal researcher at the University of Barcelona. Following an undergraduate degree in chemical engineering in Colombia at UPB, Dr Calle-Vallejo completed his PhD at the Technical University of Denmark with Jens K. Nørskov and Jan Rossmeisl. He has worked at both Leiden University with Marc Koper’s group, and at École Normale Supérieure de Lyon with Philippe Sautet’s group for several post-doctorates, following which he has returned to Leiden University as a Principal Investigator with a grant from the Netherlands Organization for Scientific Research (NWO).

Dr Calle-Vallejo’s research focuses on the structure-sensitive computational simulation of electrocatalytic reactions such as: oxygen reduction and evolution, hydrogen evolution, CO2 and CO reduction, CO oxidation and nitrate and NO reduction.

As part of the Lectureship Dr Calle-Vallejo will be awarded a travel bursary of £1000 to attend and present at a leading international event in 2020, where he will be presented his Lectureship award. Dr Calle Vallejo has also been invited to contribute a Perspective article to PCCP.

Many congratulations to Dr Calle-Vallejo on behalf of the PCCP Editorial Board, Office and Ownership Societies.

Nominations for the 2020 PCCP Emerging Investigator Lectureship and Themed collection will open next summer, keep up to date with latest journal news on the blogTwitternewsletter and e-TOC alerts.

© Shutterstock

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

PCCP Cover Gallery: December 2019

 

Issue 48

Transition of interfacial capacitors in electrowetting on a graphite surface by ion intercalation

Biao Tang, Wan Shao, Jan Groenewold, Hao Li, Yancong Feng, Xuezhu Xu, Lingling Shui, Jitesh Barman and Guofu Zhou

Phys. Chem. Chem. Phys., 2019, 21, 26284 DOI:10.1039/C9CP04436A

Elucidating the structure and dynamics of CO ad-layers on MgO surfaces

Jefferson Maul, Giuseppe Spoto, Lorenzo Mino and Alessandro Erba

Phys. Chem. Chem. Phys., 2019, 21, 26279 DOI:10.1039/C9CP05418A

A multi-scale time-resolved study of photoactivated dynamics in 5-benzyl uracil, a model for DNA/protein interactions

Mohammadhassan Valadan, Enrico Pomarico, Bartolomeo Della Ventura, Felice Gesuele, Raffaele Velotta, Angela Amoresano, Gabriella Pinto, Majed Chergui, Roberto Improta and Carlo Altucci

Phys. Chem. Chem. Phys., 2019, 21, 26301 DOI:10.1039/C9CP03839F

The dual-defective SnS2 monolayers: promising 2D photocatalysts for overall water splitting

Batjargal Sainbileg, Ying-Ren Lai, Li-Chyong Chen and Michitoshi Hayashi

Phys. Chem. Chem. Phys., 2019, 21, 26292 DOI:10.1039/C9CP04649F

 

Issue 47

Understanding the structure and dynamics of cationic surfactants from studies of pure solid phases

Jeremy K. Cockcroft, André Shamsabadi, Han Wu and Adrian R. Rennie

Phys. Chem. Chem. Phys., 2019, 21, 25945 DOI:10.1039/C9CP04486H

Atomic order, electronic structure and thermodynamic stability of nickel aluminate

Ishfaque Elias, Aloysius Soon, Jun Huang, Brian S. Haynes and Alejandro Montoya

Phys. Chem. Chem. Phys., 2019, 21, 25952 DOI:10.1039/C9CP04325J

Superconductivity in an organometallic compound

Ren-Shu Wang, Liu-Cheng Chen, Hui Yang, Ming-An Fu, Jia Cheng, Xiao-Lin Wu, Yun Gao, Zhong-Bing Huang and Xiao-Jia Chen

Phys. Chem. Chem. Phys., 2019, 21, 25976 DOI:10.1039/C9CP04227J

Dependency of f states in fluorite-type XO2 (X = Ce, Th, U) on the stability and electronic state of doped transition metals

Qian Ding, Ruizhi Qiu and Bingyun Ao

Phys. Chem. Chem. Phys., 2019, 21, 25962 DOI:10.1039/C9CP04371C

 

Issue 46

Structural and electronic transport properties of a SiC chain encapsulated inside a SiC nanotube: first-principles study

Yi Mu, Cai Cheng, Cui-E Hu and Xiao-Lin Zhou

Phys. Chem. Chem. Phys., 2019, 21, 25548 DOI:10.1039/C9CP03945G

An investigation of free-energy-averaged (coarse-grained) potentials for fluid adsorption on heterogeneous solid surfaces

Srikanth Ravipati, Amparo Galindo, George Jackson and Andrew J. Haslam

Phys. Chem. Chem. Phys., 2019, 21, 25558 DOI:10.1039/C9CP02601K

Matrix infrared spectroscopy of F2BMF and FBWF2 (M = Cr, Mo and W) complexes and quantum chemistry calculations

Bing Xu, Wenjing Li, Zhen Pu, Wenjie Yu, Tengfei Huang, Juanjuan Cheng and Xuefeng Wang

Phys. Chem. Chem. Phys., 2019, 21, 25577 DOI:10.1039/C9CP04888J

Structure–thermodynamics relationship of schoepite from first-principles

Philippe F. Weck, Carlos F. Jové-Colón and Eunja Kim

Phys. Chem. Chem. Phys., 2019, 21, 25569 DOI:10.1039/C9CP04117F

 

Issue 45

Evidencing the relationship between isomer spectra and melting: the 20- and 55-atom silver and gold cluster cases

Mathias Rapacioli, Fernand Spiegelman and Nathalie Tarrat

Phys. Chem. Chem. Phys., 2019, 21, 24857 DOI:10.1039/C9CP03897C

Ultranarrow heterojunctions of armchair-graphene nanoribbons as resonant-tunnelling devices

F. Sánchez-Ochoa, Jie Zhang, Yueyao Du, Zhiwei Huang, G. Canto, Michael Springborg and Gregorio H. Cocoletzi

Phys. Chem. Chem. Phys., 2019, 21, 24867 DOI:10.1039/C9CP04368C

Controlled current confinement in interfaced 2D nanosensor for electrical identification of DNA

Fábio A. L. de Souza, Rodrigo G. Amorim, Wanderlã L. Scopel and Ralph H. Scheicher

Phys. Chem. Chem. Phys., 2019, 21, 24884 DOI:10.1039/C9CP03950C

A reaction density functional theory study of the solvent effect in prototype SN2 reactions in aqueous solution

Cheng Cai, Weiqiang Tang, Chongzhi Qiao, Peng Jiang, Changjie Lu, Shuangliang Zhao and Honglai Liu

Phys. Chem. Chem. Phys., 2019, 21, 24876 DOI:10.1039/C9CP03888D

 

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

PCCP Editor’s Choice: Anna Krylov Selects Outstanding Articles. Read now for free

Associate Editor Anna Krylov has selected some outstanding research to share with you from Physical Chemistry Chemical Physics (PCCP). Read them now for free until the end of March 2020!

Anna Krylov is the Gabilan Distinguished Professor in Science and Engineering and a Professor of Chemistry at the University of Southern California. Her research is focused on theoretical modelling of open-shell and electronically excited species. She develops robust black-box methods to describe complicated multi-configurational wave functions in single-reference formalisms, the spin-flip approach, many-body theories for describing metastable electronic states, and tools for spectroscopy modelling. Using the tools of computational chemistry, and in collaboration with experimental laboratories, Krylov investigates the role that radicals and electronically excited species play in combustion, gas- and condensed-phase chemistry, solar energy, bioimaging, and quantum information science.

Submit your research to Anna here

Read Anna’s choices for free now:

Paper
Considerable matrix shift in the electronic transitions of helium-solvated cesium dimer cation Cs2He +n
Lorenz Kranabetter, Nina K. Bersenkowitsch, Paul Martini, Michael Gatchell, Martin Kuhn, Felix Laimer, Arne Schiller, Martin K. Beyer, Milan Ončák and Paul Scheier
Phys. Chem. Chem. Phys., 2019, 21, 25362-25368. DOI: 10.1039/C9CP04790E

Paper
A Bayesian approach to NMR crystal structure determination
Edgar A. Engel, Andrea Anelli, Albert Hofstetter, Federico Paruzzo, Lyndon Emsley and Michele Ceriotti
Phys. Chem. Chem. Phys., 2019, 21, 23385-23400. DOI: 10.1039/ C9CP04489B

Paper
Asymptotic behavior of the Hartree-exchange and correlation potentials in ensemble density functional theory
Tim Gould, Stefano Pittalis, Julien Toulouse, Eli Kraisler and Leeor Kronik
Phys. Chem. Chem. Phys., 2019, 21, 19805-19815. DOI: 10.1039/C9CP03633D

Paper
Beyond the Coulson–Fischer point: characterizing single excitation CI and TDDFT for excited states in single bond dissociations
Diptarka Hait, Adam Rettig and Martin Head-Gordon
Phys. Chem. Chem. Phys., 2019, 21, 21761-21775. DOI: 10.1039/C9CP04452C

Paper
Metadynamics for automatic sampling of quantum property manifolds: exploration of molecular biradicality landscapes
Joachim O. Lindner and Merle I. S. Röhr
Phys. Chem. Chem. Phys., 2019, 21, 24716-24722. DOI: 10.1039/C9CP05182A

Paper
Multistate hybrid time-dependent density functional theory with surface hopping accurately captures ultrafast thymine photodeactivation
Shane M. Parker, Saswata Roy and Filipp Furche
Phys. Chem. Chem. Phys., 2019, 21, 18999-19010. DOI: 10.1039/C9CP03127H

We hope you enjoy reading the articles.

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

PCCP Cover Gallery: November 2019

 

Issue 44

Ligand stabilization of manganocene dianions – in defiance of the 18-electron rule

Monalisa Yadav, Hong Fang, Santanab Giri and Puru Jena

Phys. Chem. Chem. Phys., 2019, 21, 24300 DOI:10.1039/C9CP02331C

Highly sensitive optical ratiometric thermometry by exciting Eu3+/Tb3+‘s unusual absorption lines

Leipeng Li, Xudong Qi, Feng Qin, Lu Li, Hong Gao, Yangdong Zheng and Zhiguo Zhang

Phys. Chem. Chem. Phys., 2019, 21, 24308 DOI:10.1039/C9CP04094C

Two-dimensional NaxSiS as a promising anode material for rechargeable sodium-based batteries: ab initio material design

Thi Dung Pham, Huu Duc Luong, Kazunori Sato, Yoji Shibutani and Van An Dinh

Phys. Chem. Chem. Phys., 2019, 21, 24326 DOI:10.1039/C9CP03352A

QM/MM simulations of organic phosphorus adsorption at the diaspore–water interface

Prasanth B. Ganta, Oliver Kühn and Ashour A. Ahmed

Phys. Chem. Chem. Phys., 2019, 21, 24316 DOI:10.1039/C9CP04032C

 

Issue 43

 
Low energy (1–19 eV) electron scattering from condensed thymidine (dT) I: absolute vibrational excitation cross sections

Lemelin, A. D. Bass, P. Cloutier and L. Sanche

Phys. Chem. Chem. Phys., 2019, 21, 23808 DOI:10.1039/C9CP03447A

LuPO4:Yb phosphor with concerted UV and IR thermoluminescent emissions by quantum cutting at high temperatures

Justyna Zeler, Eugeniusz Zych and Joanna Jedoń

Phys. Chem. Chem. Phys., 2019, 21, 23826 DOI:10.1039/C9CP03169C

Investigation of the properties of nanographene in polymer nanocomposites through molecular simulations: dynamics and anisotropic Brownian motion

Anastassia N. Rissanou, Petra Bačová and Vagelis Harmandaris

Phys. Chem. Chem. Phys., 2019, 21, 23843 DOI:10.1039/C9CP02074H

Kerr gated Raman spectroscopy of LiPF6 salt and LiPF6-based organic carbonate electrolyte for Li-ion batteries

Laura Cabo-Fernandez, Alex R. Neale, Filipe Braga, Igor V. Sazanovich, Robert Kostecki and Laurence J. Hardwick

Phys. Chem. Chem. Phys., 2019, 21, 23833 DOI:10.1039/C9CP02430A

Issue 42

 
Glass polymorphism and liquid–liquid phase transition in aqueous solutions: experiments and computer simulations

Johannes Bachler, Philip H. Handle, Nicolas Giovambattista and Thomas Loerting

Phys. Chem. Chem. Phys., 2019, 21, 23238 DOI:10.1039/C9CP02953B

Unique reactivity of B in B[Ge9Y3]3 (Y = H, CH3, BO, CN): formation of a Lewis base

Naaresh Reddy, Rakesh Parida, R. Inostroza-Rivera, Arindam Chakraborty, Puru Jena and Santanab Giri

Phys. Chem. Chem. Phys., 2019, 21, 23301 DOI:10.1039/C9CP04361F

Computational and experimental approach to understanding the structural interplay of self-assembled end-terminated alkanethiolates on gold surfaces

Juganta K. Roy, Erick S. Vasquez, Henry P. Pinto, Swati Kumari, Keisha B. Walters and Jerzy Leszczynski

Phys. Chem. Chem. Phys., 2019, 21, 23320 DOI:10.1039/C9CP03613J

Externally driven molecular ratchets on a periodic potential surface: a rate equations approach

Hongqian Sang, David Abbasi-Pérez, José Manuel Recio and Lev Kantorovich

Phys. Chem. Chem. Phys., 2019, 21, 23310 DOI:10.1039/C9CP03478A

 

Issue 41

Enhancing C–C bond formation by surface strain: a computational investigation for C2 and C3 intermediate formation on strained Cu surfaces

Yu-Te Chan, I-Shou Huang and Ming-Kang Tsai

Phys. Chem. Chem. Phys., 2019, 21, 22704 DOI:10.1039/C9CP02977J

Conformational dynamics and interfacial interactions of peptide-appended pillar[5]arene water channels in biomimetic membranes

Yong Liu and Harish Vashisth

Phys. Chem. Chem. Phys., 2019, 21, 22711 DOI:10.1039/C9CP04408F

Factors for the emission enhancement of dimidium in specific media such as in DNA and on a clay surface

Ryosuke Nakazato, Keito Sano, Hiroyuki Ichihara, Tamao Ishida, Tetsuya Shimada and Shinsuke Takagi

Phys. Chem. Chem. Phys., 2019, 21, 22732 DOI:10.1039/C9CP03285A

The effect of different organic solvents and anion salts on sodium ion storage in cylindrical carbon nanopores

  1. S. Khan, A. V. Karatrantos, T. Ohba and Q. Cai

Phys. Chem. Chem. Phys., 2019, 21, 22722 DOI:10.1039/C9CP03332G

 

 

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

PCCP Editor’s Choice: Kiyotaka Asakura Selects Outstanding Articles. Read now for free

Associate Editor Kiyotaka Asakura has selected some outstanding research to share with you from Physical Chemistry Chemical Physics (PCCP). Read them now for free until the end of February 2020!

Professor Kiyotaka Asakura completed his undergraduate degree in chemistry at the University of Tokyo, Japan in 1981, and went on to complete his PhD at the same university in 1987. He subsequently moved to Germany as an Alexander von Humboldt fellow, Fritz-Haber-Instite, Berlin, then Assistant Professor, Lecturer and on to Associate Professor at the University of Tokyo, Japan. He is now Professor at the Institute for Catalysis (ICAT), Hokkaido University, Japan.

Professor Kiyotaka Asakura has expertise in X-ray spectroscopy, surface science, catalyst characterization, catalysis and microscopy.

Submit your research to Kiyotaka here

Read Kiyotaka’s choices for free now:
Paper
Investigation on photocatalytic mechanism of graphitic SiC (g-SiC)/MoS2 van der Waals heterostructured photocatalysts for overall water splitting
Xu Gao, Yanqing Shen, Yanyan Ma, Shengyao Wu and Zhongxiang Zhou
Phys. Chem. Chem. Phys., 2019, 21, 15372-15379. DOI: 10.1039/C9CP02792K

Paper
The influence of support materials on the structural and electronic properties of gold nanoparticles – a DFT study
Julien Engel, Samantha Francis and Alberto Roldan
Phys. Chem. Chem. Phys., 2019, 21, 19011-19025. DOI: 10.1039/C9CP03066B

Paper
It’s not just the defects – a curved crystal study of H2O desorption from Ag
Sabine V. Auras, Robert A. B. van Bree, Dima L. Bashlakov, Richard van Lent and Ludo B. F. Juurlink
Phys. Chem. Chem. Phys., 2019, 21, 15422-15430. DOI: 10.1039/C9CP02609F

Paper
Identification of active sites in CO oxidation over a Pd/Al2O3 catalyst
Kazumasa Murata, Eleen Eleeda, Junya Ohyama, Yuta Yamamoto, Shigeo Arai and Atsushi Satsuma
Phys. Chem. Chem. Phys., 2019, 21, 18128-18137. DOI: 10.1039/C9CP03943K

We hope you enjoy reading the articles.

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

PCCP Editor’s Choice: Chantal Daniel Selects Outstanding Articles. Read now for free

Associate Editor Chantal Daniel has selected some outstanding research to share with you from Physical Chemistry Chemical Physics (PCCP). Read them now for free until the end of January 2020!

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 JSPS fellow and IBM Research group Kingston, USA in 1988 as post-doc associate. Her research in theoretical chemistry is focused on photophysics and photochemistry of coordination compounds and excited state properties, including quantum dynamics. Using electronic structure theory and vibronic models Daniel group simulated ultrafast processes in transition metal complexes used as luminescent probes, electron transfer triggers, DNA intercalators and photoinduced release carbonyl materials.

Submit your research to Chantal here

Read Chantal’s choices for free now:
Paper
A coarse-grained model of ionic liquid crystals: the effect of stoichiometry on the stability of the ionic nematic phase
Giacomo Saielli and Katsuhiko Satoh
Phys. Chem. Chem. Phys., 2019, 21, 20327-20337. DOI: 10.1039/C9CP03296G

Paper
Chemically-driven convective dissolution
M. Jotkar, L. Rongy and A. De Wit
Phys. Chem. Chem. Phys., 2019, 21, 19054-19064. DOI: 10.1039/C9CP03044A

Paper
Surface anchored self-assembled reaction centre mimics as photoanodes consisting of a secondary electron donor, aluminium(III) porphyrin and TiO2 semiconductor
Niloofar Zarrabi, Gary N. Lim, Brandon J. Bayard, Francis D’Souza and Prashanth K. Poddutoori
Phys. Chem. Chem. Phys., 2019, 21, 19612-19622. DOI: 10.1039/C9CP03400E

Paper
The water–carbon monoxide dimer: new infrared spectra, ab initio rovibrational energy level calculations, and an interesting in-termolecular mode
A. J. Barclay, A. van der Avoird, A. R. W. McKellar and N. Moazzen-Ahmadi
Phys. Chem. Chem. Phys., 2019, 21, 14911-14922. DOI: 10.1039/C9CP02815C

Paper
Probing the structure of giant fullerenes by high resolution trapped ion mobility spectrometry
Patrick Weis, Frank Hennrich, Regina Fischer, Erik K. Schneider, Marco Neumaier and Manfred M. Kappes
Phys. Chem. Chem. Phys., 2019, 21, 18877-18892. DOI: 10.1039/C9CP03326B

Paper
Surface phase diagrams of La-based perovskites towards the O-rich limit from first principles
Yang Li, Jie Yang, Yi-An Zhu, Zhi-Jun Sui, Xing-Gui Zhou, De Chen and Wei-Kang Yuan
Phys. Chem. Chem. Phys., 2019, 21, 12859-12871. DOI: 10.1039/C9CP02288K

We hope you enjoy reading the articles.

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)