Archive for the ‘Themed Issue’ Category

Insights into 2D Materials PCCP themed collection now online and free to access

We are delighted to announce that the Physical Chemistry Chemical Physics (PCCP) themed collection Insights into 2D Materials is now online and free to access until the end of February 2023.

The scope of this collection covers topics including, but not limited to, physical and chemical properties of 2D materials, synthesis techniques, structural characterization, 2D and mixed-dimensional heterostructures, functionalization of 2D materials, flexible 2D devices, new novel 2D materials, and applications of 2D materials in biological systems, chemical sensing, and energy technologies.

Guest Edited by Professor Hui Zhao and Professor Sunmin Ryu, this collection aims to provide new insights into 2D materials from theoretical, computational, and experimental communities.

Read the full collection online
It includes:

Editorial
Insights into 2D materials
Hui Zhao and Sunmin Ryu
Phys. Chem. Chem. Phys., 2022, 24, 16940-16941. DOI: 10.1039/D2CP90105F

Perspective
Recent trends in covalent functionalization of 2D materials
Jae Hwan Jeong, Sojung Kang, Namwon Kim, Rakesh Joshi and Gwan-Hyoung Lee
Phys. Chem. Chem. Phys., 2022, 24, 10684-10711. DOI: 10.1039/D1CP04831G

Perspective
Studying 2D materials with advanced Raman spectroscopy: CARS, SRS and TERS
Leandro M. Malard, Lucas Lafeta, Renan S. Cunha, Rafael Nadas, Andreij Gadelha, Luiz Gustavo Cançado and Ado Jorio
Phys. Chem. Chem. Phys., 2021, 23, 23428-23444. DOI: 10.1039/D1CP03240B

Paper
Single sheets of graphene for fabrication of fibers with enhanced mechanical properties
Muhammad G. Salim, Luke A. Thimons, Min A. Kim, Brennan Carr, Michelle Montgomery, Nathan Tolman,a Tevis D. B. Jacobs and Haitao Liu
Phys. Chem. Chem. Phys., 2021, 23, 23124-23129. DOI: 10.1039/D1CP03238K

Paper
Charge-transfer dynamics in van der Waals heterojunctions formed by thiophene-based semiconductor polymers and exfoliated franckeite investigated from resonantly core-excited electron
Yunier Garcia-Basabe, David Steinberg, Lara M. Daminelli, Cesar D. Mendoza, E. A. Thoroh de Souza, Flavio C. Vicentin and Dunieskys G. Larrudé
Phys. Chem. Chem. Phys., 2021, 23, 16795-16805. DOI: 10.1039/D1CP01694F

Paper
Exploring the emerging of electronic and magnetic properties with adatom adsorption on a novel semiconductor monolayer: N2P6
Xinle Lu, Liaoxin Sun, Bing Fu, Shoutian Sun and Xiang Ye
Phys. Chem. Chem. Phys., 2021, 23, 22045-22056. DOI: 10.1039/D1CP03211A

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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We are delighted to announce that the Physical Chemistry Chemical Physics (PCCP) themed collection Fundamentals and Applications of Molecular Photoelectron Spectroscopy – Festschrift for Ivan Powis is now online and free to access until the end of January 2023

We are delighted to announce that the Physical Chemistry Chemical Physics (PCCP) themed collection Fundamentals and Applications of Molecular Photoelectron Spectroscopy – Festschrift for Ivan Powis is now online and free to access until the end of January 2023.

Ivan Powis has been a key player in many developments of photoelectron spectroscopy. He is particularly recognised as a pioneer of photoelectron circular dichroism, a field he triggered via two seminal theoretical papers published in 2000. Ivan has remained at the forefront of this growing field over the past two decades, and this Festschrift issue celebrates his great contributions and achievements.

Guest Edited by Professors Maurice Janssen, Laurent Nahon, Olga Smirnova and Albert Stolow, this collection highlights both fundamental and applied aspects of molecular photoionization processes, including photodetachment and a broad range of targets (from diatomics to liquid jets, including of course chiral systems), in all regimes of light-matter interaction.

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It includes:

Editorial
Fundamentals and Applications of Molecular Photoelectron Spectroscopy – Festschrift for Ivan Powis
Maurice Janssen, Laurent Nahon, Olga Smirnova and Albert Stolow
Phys. Chem. Chem. Phys., 2022, 24, 24611-24613. DOI: 10.1039/D2CP90168D

Perspective
Photoionization of the aqueous phase: clusters, droplets and liquid jets
Ruth Signorell and Bernd Winter
Phys. Chem. Chem. Phys., 2022, 24, 13438-13460. DOI: 10.1039/D2CP00164K

Perspective
Time-resolved photoelectron spectroscopy: the continuing evolution of a mature technique
Michael S. Schuurman and Valérie Blanchet
Phys. Chem. Chem. Phys., 2022, 24, 20012-20024. DOI: 10.1039/D1CP05885A

Perspective
Photoelectron spectroscopy in molecular physical chemistry
Ingo Fischer and Stephen T. Pratt
Phys. Chem. Chem. Phys., 2022, 24, 1944-1959. DOI: 10.1039/D1CP04984D

Communication
Photo-isomerization of the isolated photoactive yellow protein chromophore: what comes before the primary step?
Cate S. Anstöter, Basile F. E. Curchod and Jan R. R. Verlet
Phys. Chem. Chem. Phys., 2021, 23, 1305-1309. DOI: 10.1039/D1CP05259D

Paper
Disentangling enantiosensitivity from dichroism using bichromatic fields
Andres F. Ordonez and Olga Smirnova
Phys. Chem. Chem. Phys., 2022, 24, 7264-7273. DOI: 10.1039/D1CP05833A

Paper
Vacuum ultraviolet photochemistry of sulfuric acid vapor: a combined experimental and theoretical study
Cuihong Zhang, Xiaoxiao Lin, Xiaofeng Tang, Christa Fittschen, Sebastian Hartweg, Gustavo A. Garcia, Bo Long, Weijun Zhang and Laurent Nahon
Phys. Chem. Chem. Phys., 2022, 24, 2015-2021. DOI: 10.1039/D1CP05237C

Paper
Ultraviolet photodissociation circular dichroism spectroscopy of protonated l-phenylalanyl-l-alanine in a cryogenic ion trap
Il Tae Yoo, Han Jun Eun, Ahreum Min, Chang Wook Jeon, Jinho Jeong, Jiyoung Heo and Nam Joon Kim
Phys. Chem. Chem. Phys., 2021, 23, 24180-24186. DOI: 10.1039/D1CP04030H

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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Emerging Investigators 2021 themed collection is now online and free to access until the end of September 2022

We are delighted to announce that the Physical Chemistry Chemical Physics (PCCP) Emerging Investigators 2021 themed collection is now online and free to access until the end of September 2022.

The collection brings together excellent research carried out around the world by early career scientists in physical chemistry, chemical physics and biophysical chemistry. As outstanding researchers in the early stages of their independent careers, each contributor was nominated for the PCCP Emerging Investigator Lectureship and invited to contribute to this themed collection by the Editorial Board.

We congratulate those whose work is featured and hope you enjoy reading their contributions.

Read the full collection online for FREE

It includes:

Profile
Physical Chemistry Chemical Physics profiles: contributors to the Emerging Investigators 2021 issue
Phys. Chem. Chem. Phys., 2022, 24, 14113-14118. DOI: 10.1039/D2CP90064E

Paper
cistrans photoisomerisation of azobenzene: a fresh theoretical look
Isabella C. D. Merritt, Denis Jacquemin and Morgane Vacher
Phys. Chem. Chem. Phys., 2021, 23, 19155-19165. DOI: 10.1039/D1CP01873F

Paper
Compositional flexibility in Li–N–H materials: implications for ammonia catalysis and hydrogen storage
Joshua W. Makepeace, Jake M. Brittain, Alisha Sukhwani Manghnani, Claire A. Murray, Thomas J. Wood and William I. F. David
Phys. Chem. Chem. Phys., 2021, 23, 15091-15100. DOI: 10.1039/D1CP02440J

Paper
Experimental measurement and prediction of ionic liquid ionisation energies
Jake M. Seymour, Ekaterina Gousseva, Alexander I. Large, Coby J. Clarke, Peter Licence, Richard M. Fogarty, David A. Duncan, Pilar Ferrer, Federica Venturini, Roger A. Bennett, Robert G. Palgrave and Kevin R. J. Lovelock
Phys. Chem. Chem. Phys., 2021, 23, 20957-20973. DOI: 10.1039/D1CP02441H

Paper
Direct observation of the solvent organization and nuclear vibrations of [Ru(dcbpy)2(NCS)2]4−, [dcbpy = (4,4′-dicarboxy-2,2′-bipyridine)], via ab initio molecular dynamics
Fulvio Perrella, Alessio Petrone and Nadia Rega
Phys. Chem. Chem. Phys., 2021, 23, 22885-22896. DOI: 10.1039/D1CP03151A

Paper
Interaction of nanoparticles with lipid films: the role of symmetry and shape anisotropy
Lucrezia Caselli, Andrea Ridolfi, Gaetano Mangiapia, Pierfrancesco Maltoni, Jean-François Moulin, Debora Berti, Nina-Juliane Steinke, Emil Gustafsson, Tommy Nylander and Costanza Montis
Phys. Chem. Chem. Phys., 2022, 24, 2762-2776. DOI: 10.1039/D1CP03201A

Paper
Phenolic compounds alter the ion permeability of phospholipid bilayers via specific lipid interactions
Sheikh I. Hossain, Suvash C. Saha and Evelyne Deplazes
Phys. Chem. Chem. Phys., 2021, 23, 22352-22366. DOI: 10.1039/D1CP03250J

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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Developments in Ultrafast Spectroscopy is now online and free to access until the start of September 2022

We are delighted to announce that the Physical Chemistry Chemical Physics (PCCP) themed collection Developments in Ultrafast Spectroscopy is now online and free to access until the start of September 2022.

The scope of this themed collection is designed to disseminate state-of-the-art theoretical and experimental developments, and to demonstrate their potential in the interpretation and prediction of a variety of processes at the physics-chemistry-biology-materials frontiers. By exploring the intimacy of matter, ultrafast spectroscopy not only provides detailed structural understanding but also in-depth knowledge of the processes that control primary functions, either at the atomic and molecular scale or in specific environments.

Guest Edited by Professor Chantal Daniel, Professor Luis Bañares, Professor Spiridoula Matsika and Professor Jin Zhao, this collection aims at promoting the ability of attosecond-to-picosecond laser pulses to decipher ultrafast dynamics of charge carriers, atoms and molecules in gas and condensed phases.

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It includes:

Editorial
Developments in ultrafast spectroscopy
Chantal Daniel, Luis Bañares, Spiridoula Matsika and Jin Zhao
Phys. Chem. Chem. Phys., 2022, 24, 12082-12082. DOI: 10.1039/D2CP90063G

Perspective
Ultrafast processes: coordination chemistry and quantum theory
Chantal Daniel
Phys. Chem. Chem. Phys., 2021, 23, 43-58. DOI: 10.1039/D0CP05116K

Paper
Hot carrier relaxation in CsPbBr3 nanocrystals: electron–hole asymmetry and shape effects
Qiang Gao and Jun Kang
Phys. Chem. Chem. Phys., 2022, 24, 9891-9896. DOI: 10.1039/D2CP00634K

Paper
Effects of oxygen vacancies on the photoexcited carrier lifetime in rutile TiO2
Lili Zhang, Weibin Chu, Qijing Zheng and Jin Zhao
Phys. Chem. Chem. Phys., 2022, 24, 4743-4750. DOI: 10.1039/D1CP04248C

Paper
Ultrafast molecular dynamics in ionized 1- and 2-propanol: from simple fragmentation to complex isomerization and roaming mechanisms
Debadarshini Mishra, Juan Reino-González, Razib Obaid, Aaron C. LaForge, Sergio Díaz-Tendero, Fernando Martín and Nora Berrah
Phys. Chem. Chem. Phys., 2022, 24, 433-443. DOI: 10.1039/D1CP04011A

Paper
Ultrafast relaxation investigated by photoelectron circular dichroism: an isomeric comparison of camphor and fenchone
Valérie Blanchet, Dominique Descamps, Stéphane Petit, Yann Mairesse, Bernard Pons and Baptiste Fabre
Phys. Chem. Chem. Phys., 2021, 23, 25612-25628. DOI: 10.1039/D1CP03569J

Paper
Exciton delocalization length in chlorosomes investigated by lineshape dynamics of two-dimensional electronic spectra
Sunhong Jun, Cheolhee Yang, Seungjoo Choi, Megumi Isaji, Hitoshi Tamiaki, Hyotcherl Ihee and Jeongho Kim
Phys. Chem. Chem. Phys., 2021, 23, 24111-24117. DOI: 10.1039/D1CP03413H

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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Non-traditional solvent effects in organic reactions themed collection of PCCP and OBC now online!

Non-traditional solvent effects in organic reactions themed collection of PCCP and OBC now online!

We are delighted to announce that the Physical Chemistry Chemical Physics (PCCP) and Organic and Biomolecular Chemistry (OBC) themed collection Non-traditional solvent effects in organic reactions is now online and free to access until the end of February 2022.

The scope of this collection covers all aspects of solvent effects on organic reactivity – from the physical underpinnings through to synthetic utility in the areas of preparative, physical organic, and computational chemistry. A broad range of non-traditional solvents are covered including supercritical fluids, superheated solvents, eutectic mixtures, and ionic liquids.

Guest Edited by Professor Jason Harper, Professor Barbara Kirchner, Professor Paulina Pavez and Professor Tom Welton.

Read the full issue online
It includes:

Editorial
Non-traditional solvent effects in organic reactions
Jason B. Harper, Barbara Kirchner, Paulina Pavez and Tom Welton
Phys. Chem. Chem. Phys., 2021, 23, 26028-26029. DOI: 10.1039/D1CP90187G

Perspective
Deep eutectic solvents as non-traditionally multifunctional media for the desulfurization process of fuel oil
Zhiguo Zhu, Hongying Lü, Ming Zhang and Hengquan Yang
Phys. Chem. Chem. Phys., 2021, 23, 785-805. DOI: 10.1039/D0CP05153E

Review
The role of intermolecular forces in ionic reactions: the solvent effect, ion-pairing, aggregates and structured environment
Josefredo R. Pliego, Jr
Org. Biomol. Chem., 2021, 19, 1900-1914. DOI: 10.1039/D0OB02413A

Paper
The effect of bisimidazolium-based ionic liquids on a bimolecular substitution process. Are two head(group)s better than one?
Kenny T.-C. Liu, Ronald S. Haines and Jason B. Harper
Org. Biomol. Chem., 2020, 18, 7388-7395. DOI: 10.1039/D0OB01500H

Paper
Microwave-assisted nucleophilic degradation of organophosphorus pesticides in propylene carbonate
Daniela Millán, Mabel Rojas, Ricardo A. Tapia and Paulina Pavez
Org. Biomol. Chem., 2020, 18, 7868-7875. DOI: 10.1039/D0OB01620A

Paper
Copper-catalyzed Goldberg-type C–N coupling in deep eutectic solvents (DESs) and water under aerobic conditions
Luciana Cicco, Jose A. Hernández-Fernández, Antonio Salomone, Paola Vitale, Marina Ramos-Martín, Javier González-Sabín, Alejandro Presa Soto, Filippo M. Perna, Vito Capriati and Joaquín García-Álvarez
Org. Biomol. Chem., 2021, 19, 1773-1779. DOI: 10.1039/D0OB02501A

Paper
The multifaceted effects of DMSO and high hydrostatic pressure on the kinetic constants of hydrolysis reactions catalyzed by α-chymotrypsin
Lena Ostermeier, Rosario Oliva and Roland Winter
Phys. Chem. Chem. Phys., 2020, 22, 16325-16333. DOI: 10.1039/D0CP03062G

Paper
Nucleophilic degradation of diazinon in thermoreversible polymer–polymer aqueous biphasic systems
Daniela Millan, Mafalda R. Almeida, Ana F. C. S. Rufino, João A. P. Coutinho and Mara G. Freire
Phys. Chem. Chem. Phys., 2021, 23, 4133-4140. DOI: 10.1039/D0CP06086K

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

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A PCCP Themed Collection, now open for Submissions – “Stability and properties of new-generation metal and metal-oxide clusters down to the subnanometer scale: synthesis, experimental characterization, and theory”

Physical Chemistry Chemical Physics is delighted to announce a call for papers for its latest themed collection on “Stability and properties of new-generation metal and metal-oxide clusters down to the subnanometer scale: synthesis, experimental characterization, and theory” to be promoted in 2022.

Guest Edited by: María Pilar de Lara-Castells (Institute of Fundamental Physics (CSIC)), Cristina Puzzarini (University of Bologna), Vlasta Bonačić-Koutecký (Humboldt University of Berlin), Stefan Vajda (Czech Academy of Sciences) and M. Arturo López-Quintela (University of Santiago de Compostela)

This collection will be devoted to the latest advances in the field of metal and metal-oxide clusters. Recent joint theoretical-experimental research has shown that subnanometer-sized metal clusters, and more generally atomically precise clusters or even single atoms, possess special chemical and physical properties due to singular quantum effects, making them innovative materials for applications including luminescence, sensing, bioimaging, theranostics, energy conversion, catalysis, and photocatalysis. This themed collection is driven by the conviction that further steps in shaping this modern field require a tight collaboration between experimentalists with a deep and broad expertise and theoreticians working on suitable models of both unsupported (in air, solution, or biologically relevant environments) and surface-supported metal and metal oxide clusters. For this reason, a special emphasis will be given to the interplay between experiment and theory. The themed collection is intended to bring together theory (including first-principles approaches combining DFT-based and high-level ab initio theories), fundamental-oriented research in vacuum attached to rare gas clusters, in particular helium nanodroplets, as well as hydrocarbon, metallic and inorganic clusters produced at low temperatures with the focus on their formation, stability, interaction with liquid helium environments, and reactivity at astrophysically relevant conditions. In addition, the collection includes the most applied-oriented research of metal and metal oxide clusters in solution, covering nano- and subnanometer ranges.

This call for papers is open for the following article types:

·       Communications

·       Full papers

·       Reviews and Perspectives

 

Open for Submissions until 31st July 2022

If you would like to contribute to this themed collection, you can submit your article now, directly through the journal’s online submission service at https://mc.manuscriptcentral.com/pccp. Please answer the themed collection question in the submission form when uploading your files to say that this is a contribution to the themed collection and add a “Note to the Editor” that this is from the Open Call. The Editorial Office reserves the right to check suitability of submissions in relation to the scope of both the journal and the collection, and inclusion of accepted articles in the final themed issue is not guaranteed.

Submissions to the journal should include significant innovation and/or insight into physical chemistry. Please see the journal’s website for more information on the journal’s scope, standards, article types and author guidelines.

With best wishes,

The Guest Editors

 

María Pilar de Lara-Castells

Institute of Fundamental Physics (CSIC)

Cristina Puzzarini

University of Bologna

Vlasta Bonačić-Koutecký

Humboldt University of Berlin

Stefan Vajda

Czech Academy of Sciences

M. Arturo López-Quintela

University of Santiago de Compostela

Vikki Pritchard

Royal Society of Chemistry, Deputy Editor

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PCCP Bunsentagung 2020: Understanding Dispersion Interactions in Molecular Chemistry themed collection now online!

PCCP Bunsentagung 2020: Understanding Dispersion Interactions in Molecular Chemistry themed collection now online!

We are delighted to announce that the Physical Chemistry Chemical Physics (PCCP) themed collection Bunsentagung 2020: Understanding Dispersion Interactions in Molecular Chemistry is now online and free to access until the end of August 2021.

Bunsentagung 2020 focuses on dispersion interactions and their multifold manifestations in chemistry. Dispersion is the driving force for molecular aggregation that plays a key role in the thermodynamic stability of (meta)stable structures, molecular recognition, chemical selectivity through transition-state stabilization, protein folding, enzyme catalysis, and many more. Despite the pioneering work of London and others in the 1930s, our understanding of dispersion interactions only recently has become much better.

Guest Edited by Professor Jürgen Janek, Professor Peter R. Schreiner and Professor Martin A. Suhm, this collection highlights the progress in a rapidly developing field encompassing both experiment and theory. We hope you enjoy reading the articles. Please get in touch if you have any questions about this themed collection or PCCP.

 

Read the full issue online
It includes:

Editorial
Understanding dispersion interactions in molecular chemistry
Jürgen Janek, Peter R. Schreiner and Martin A. Suhm
Phys. Chem. Chem. Phys., 2021, 23, 8960-8961. DOI: 10.1039/D0CP90285C

Paper
Understanding benzyl alcohol aggregation by chiral modification: the pairing step
Robert Medel and Martin A. Suhm
Phys. Chem. Chem. Phys., 2020, 22, 25538-25551. DOI: 10.1039/D0CP04825A

Paper
Dissecting intermolecular interactions in the condensed phase of ibuprofen and related compounds: the specific role and quantification of hydrogen bonding and dispersion forces
V. N. Emel’yanenko, P. Stange, J. Feder-Kubis, S. P. Verevkin and R. Ludwig
Phys. Chem. Chem. Phys., 2020, 22, 4896-4904. DOI: 10.1039/C9CP06641A

Paper
The influence of intermolecular coupling on electron and ion transport in differently substituted phthalocyanine thin films as electrochromic materials: a chemistry application of the Goldilocks principle
Thi Hai Quyen Nguyen, Marius Pelmuş, Christopher Colomier, Sergiu M. Gorun and Derck Schlettwein
Phys. Chem. Chem. Phys., 2020, 22, 7699-7709. DOI: 10.1039/C9CP06709D

Paper
Structures and internal dynamics of diphenylether and its aggregates with water
M. Fatima, D. Maué, C. Pérez, D. S. Tikhonov, D. Bernhard, A. Stamm, C. Medcraft, M. Gerhards and M. Schnell
Phys. Chem. Chem. Phys., 2020, 22, 27966-27978. DOI: 10.1039/D0CP04104A

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Festschrift for Peter Toennies – New horizons in the dynamics of molecules: from gases to surfaces PCCP themed issue now online and free to access

We are delighted to announce that the Physical Chemistry Chemical Physics (PCCP) themed issue Festschrift for Peter Toennies – New horizons in the dynamics of molecules: from gases to surfaces is now online and free to access until the beginning of July 2021.

This themed issue is in honour of Professor Jan-Peter Toennies on the occasion of his 90th birthday.

Professor Toennies is a very well-known physical chemist, Emeritus Director of the Max Planck Institute für Strömungsforschung (now the MPI für Dynamik und Selbstorganisation) in Göttingen, and is still actively publishing even today. A few of his fields of research are molecular beams scattering in the gas phase, chemical reactions, atomic and molecular beams scattering from surfaces, surface structure and dynamics, He dimers, small clusters and nanodroplets.

Guest Edited by Professor Giorgio Benedek, Professor Joseph R. Manson and Professor Salvador Miret-Artés, this collection includes work closely related to Professor Toennies’ fields of research.

 

Read the full issue online
It includes:

Editorial
Festschrift for Peter Toennies – New horizons in the dynamics of molecules: from gases to surfaces
Giorgio Benedek, Joseph R. Manson and Salvador Miret-Artés
Phys. Chem. Chem. Phys., 2021, 23, 7523-7524. DOI: 10.1039/D1CP90026A

Profile
Jan Peter Toennies: an ebullient serendipitous adventurer
Bretislav Friedrich and Dudley Herschbach
Phys. Chem. Chem. Phys., 2021, 23, 7525-7540. DOI: 10.1039/D0CP90251A

Perspective
Metal clusters synthesized in helium droplets: structure and dynamics from experiment and theory
Wolfgang E. Ernst and Andreas Hauser
Phys. Chem. Chem. Phys., 2021, 23, 7553-7574. DOI: 10.1039/D0CP04349D

Paper
Normal and off-normal incidence dissociative dynamics of O2(v,J) on ultrathin Cu films grown on Ru(0001)
J. G. Fallaque, M. Ramos, H. S. Busnengo, F. Martín and C. Díaz
Phys. Chem. Chem. Phys., 2021, 23, 7768-7776. DOI: 10.1039/D0CP03979A

Paper
Alkali metal adsorption on metal surfaces: new insights from new tools
Arjun Raghavan, Louie Slocombe, Alexander Spreinat, David J. Ward, William Allison, John Ellis, Andrew P. Jardine, Marco Sacchi and Nadav Avidor
Phys. Chem. Chem. Phys., 2021, 23, 7822-7829. DOI: 10.1039/D0CP05365A

Paper
A nuclear spin and spatial symmetry-adapted full quantum method for light particles inside carbon nanotubes: clusters of 3He, 4He, and para-H2
María Pilar de Lara-Castells and Alexander O. Mitrushchenkov
Phys. Chem. Chem. Phys., 2021, 23, 7908-7918. DOI: 10.1039/D0CP05332E

 

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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PCCP Quantum Computing and Quantum Information Storage themed collection now online!

PCCP Quantum Computing and Quantum Information Storage themed collection now online!

We are delighted to announce that the Physical Chemistry Chemical Physics (PCCP) themed collection Quantum Computing and Quantum Information Storage is now online and free to access until the end of June 2021.

Quantum computing and information storage promise to revolutionize our information technology. Some basic theory of quantum computing has been established over the past two decades and researchers are on the cusp of quantum supremacy for truly useful systems. Yet, for quantum computing to become a reality we need to find a practical physical platform for realizing qubits with enough fidelity and depth to solve important problems. At present it is not clear what platform will succeed at this.

Guest Edited by Professor John Doyle, Professor Anna Krylov and Professor Kang-Kuen Ni, this collection highlights physical chemistry and chemical physics aspects of quantum computing and quantum information storage. We hope you enjoy reading the articles. Please get in touch if you have any questions about this themed collection or PCCP.

Read the full collection online

It includes:

Editorial
Quantum Computing and Quantum Information Storage
Anna I. Krylov, John Doyle and Kang-Kuen Ni
Phys. Chem. Chem. Phys., 2021, 23, 6341-6343. DOI: 10.1039/D1CP90024B

Paper
In search of molecular ions for optical cycling: a difficult road
Maxim V. Ivanov, Thomas-C. Jagau, Guo-Zhu Zhu, Eric R. Hudson and Anna I. Krylov
Phys. Chem. Chem. Phys., 2020, 22, 17075-17090.  DOI: 10.1039/D0CP02921A

Paper
First-principles studies of strongly correlated states in defect spin qubits in diamond
He Ma, Nan Sheng, Marco Govoni and Giulia Galli
Phys. Chem. Chem. Phys., 2020, 22, 25522-25527. DOI: 10.1039/D0CP04585C

Paper
Coherent manipulation of the internal state of ultracold 87Rb133Cs molecules with multiple microwave fields
Jacob A. Blackmore, Philip D. Gregory, Sarah L. Bromley and Simon L. Cornish
Phys. Chem. Chem. Phys., 2020, 22, 27529-27538. DOI: 10.1039/D0CP04651E

Paper
Magnetic anisotropy in YbIII complex candidates for molecular qubits: a theoretical analysis
Martín Amoza, Silvia Gómez-Coca and Eliseo Ruiz
Phys. Chem. Chem. Phys., 2021, 23, 1976-1983. DOI: 10.1039/D0CP05422D

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Quantum Theory: The Challenge of Transition Metal Complexes is now online and free to access until May 2021

We are delighted to announce that the Physical Chemistry Chemical Physics (PCCP) themed collection Quantum Theory: The Challenge of Transition Metal Complexes is now online and free to access until May 2021.

This collection aims at promoting the power of quantum theory at deciphering electronic structure, bonding, nuclear relaxation, (photo-) chemical reactivity, catalytic and enzymatic activities of transition metal complexes.

By exploring the intimacy of matter, particularly complex in coordination chemistry, quantum theory does not only provide accurate structural understanding but also in-depth knowledge of the processes that control primary functions, either at the molecular scale or in specific environments.

Guest Edited by Professor Chantal Daniel, Professor Leticia González and Professor Frank Neese, this collection contributes to stimulating discussions in the quest to find fundamental answers at the frontier between hard and life sciences involving transition metal complexes.

Read the full issue online
It includes:

Editorial
Quantum Theory: The Challenge of Transition Metal Complexes
Chantal Daniel, Leticia González and Frank Neese
Phys. Chem. Chem. Phys., 2021, 23, 2533-2534. DOI: 10.1039/D0CP90278K

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