What impact does the cation have on ionic electrolytes for sodium ion batteries? A big one! The new work by the team of Jenny Pringle and Maria Forsyth uses two new cations to investigate the effect on structure and properties. go.acs.org/aGi

Santos and coworkers studied the ionic fragmentation of the halothane molecule induced by EUV and soft X-ray radiation. antonio santos go.acs.org/aGu

We aim to inspire the next generation of scientists and celebrate the contributions and advances of physical chemistry research in China with this new selection of 75 articles by recognized female Chinese scholars. 👩🏻‍🔬🔗 go.acs.org/aGK

Now out in The Journal of Physical Chemistry: Does your compound have an unexplained pseudogap? It might be from a Mott-Jones effect (aka Fermi sphere/Brillouin Zone interaction). The Mott-Jones Hamilton Population can help you know for sure using DFT. go.acs.org/aGQ

Advances in microscopy give more data than ever before. Researchers examine how to evaluate similarity of time-series images, providing cases with simulated & real data to help guide researchers on how to extract meaningful insights @TheDavisLab Yale Chemistry go.acs.org/aH7

Charge transfer in molecular co-crystals: how to determine or predict it in according to vibrational spectroscopies? This conundrum was theoretically investigated by Dr. Fontanesi and his co-workers in the first paper for JPC C of Mr. Biffoli go.acs.org/aHr

Our second Virtual Special Issue on Machine Learning covers an enormous amount of thought-provoking new ground in the development and use of new tools for advancing physical chemistry research. Read it here 🔗 go.acs.org/aHH

Comparing to the classic total area method, this relative aggregation number method is much more convenient without counting all cores/aggregates in the AFM or TEM images to reveal the detailed interface or solution aggregate structures. go.acs.org/aHO

This work discovered an upconversion process in correlated electron material La0.7Sr0.3MnO3, induced by interplay between electrons, spins and lattices. Spectral results also show excited electron transfer in the La0.7Sr0.3MnO3/BiFeO3 heterojunction. go.acs.org/aI3

Researchers use ligands to steer electrons in gold nanoclusters! Knappenberger Group Nate Smith Penn State Chemistry @PSUscience go.acs.org/aIc

This research uncovers how hydration film and H-bond affect micro-friction between clay mineral layers by using molecular simulations and finds that the structural change of water layers plays a pivotal role in governing the variation of micro-friction. go.acs.org/aIv

Integral equation theory provides a powerful way of investigating the solvation shell structures of coarse-grained protein models. Try 3D-OZ Martini! It's dry (i.e., an implicit water approach)! go.acs.org/aIN

The foundations of precision chemistry can be traced to the principles of quantum mechanics. A new special issue will highlight cutting-edge exploration of the quantum realm of precision chemistry. Please join us. Found out how here 👉 go.acs.org/a8n

The The Castellano Group NC State Chemistry investigates the steady-state and time-resolved spectroscopic properties of vanadium(V) molecules for LMCT-activated bond homolysis reactions. BioLEC EFRC Phil Castellano Alexandra T. Barth. Thanks to @DOEScience for funding! go.acs.org/aJb

This is GenMat's first peer-reviewed publicationwhich integrates computational & experimental approaches to accelerate the exploration of the active sites in a CuPt/TiO₂ photocatalyst system to optimize CO₂ photoconversion into value-added hydrocarbons. go.acs.org/aJo

Using enhanced MD, this study reveals how an antibody stabilizes the active conformation of PfAMA1, a key malaria protein, through specific hydrogen bonds, shedding light on the antigen-antibody interaction. @cces_unicamp unicampoficial Pamella Carneiro go.acs.org/aJG

We aim to inspire the next generation of scientists and celebrate the contributions and advances of physical chemistry research in China with this new selection of 75 articles by recognized female Chinese scholars. 👩🏻‍🔬🔗 go.acs.org/aJV

.Lance Kavalsky and Venkat Viswanathan develop a first-principles model of the iron interface in an electrowinning cell, an emerging technology for green ironmaking. DFT calculations reveal step edges as key to electrodeposition and the competing hydrogen evolution go.acs.org/aK2

Su Group Science: Coupling orbital and occupation optimizations in RDMFT and Hypercomplex Kohn-Sham (HCKS) theory—A new approach to enhance computational efficiency and accuracy in quantum chemistry. Su group go.acs.org/aKc

Microplastics and marine pollutants team up, causing even greater harm, by destabilizing lipid bilayers, leading to potential long-term damage to marine ecosystems. #SaveOurOceans #PlasticPollution #MarineScience Vladimir Baulin jbfLab Universitat Rovira i Virgili go.acs.org/aKj