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Theoretical and Computational Chemistry

The hole mass in Car-Parrinello molecular dynamics: insights into the dynamics of excitation

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Organic Chemistry

Synthesis of Chromanes by Triflimide-catalyzed Annulations of Benzylic Alcohols and Alkenes

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Biological and Medicinal Chemistry

Understanding the Epidemiology of Asthma in Africa: Current Trends, Challenges, and Future Directions

Marvellous Eyube

Analytical Chemistry

Structural Characterisation and Dynamics of a Paramagnetic {Cr12Ni3} Seahorse in Non-Crystalline Phases

Niklas Geue, Emily Hicks, Selena J. Lockyer, Selina Nawaz, Olivia Churchill, George F. S. Whitehead, Grigore A. Timco, Neil A. Burton, Perdita E. Barran, Richard E. P. Winpenny

Materials Chemistry

Chemically Triggered Reactive Coacervates Show Life-like Budding and Membrane Formation

Sudeep Koppayithodi, Nishant Singh

Materials Science

Theory of Soft Active Wetting

Ghansham Chandel, Siddhartha Das

Influence of coverage dependence on the thermophysical properties of adsorbates and its impact on microkinetic models

Jongyoon Bae, Bjarne Kreitz, Andrew Peterson, Claude Franklin Goldsmith

Theoretical and Computational Chemistry

Collective Coordinates and Facilitated Conformational Opening during Translocation of Human Mitochondrial RNA Polymerase (POLRMT) from Atomic Simulations

Shannon McElhenney, Jin Yu

Elucidation of the Nano-sized Molecular Structure of Methylaluminoxane using Synchrotron X-ray Total Scattering

Toru Wada, Toshiaki Taniike

Theoretical and Computational Chemistry

Ab initio predictions of adsorption in flexible metal-organic frameworks for water harvesting applications.

Ruben Goeminne, Veronique Van Speybroeck

Stabilization of Ru-Core, Pt-Shell Model Electrodes by Electronic Effects and Electrooxidation Reactions

Albert K. Engstfeld, Lukas Forschner, Mario Löw, Linus Pithan, Paul Beyer, Zenonas Jusys, Joachim Bansmann, R. Jürgen Behm, Jakub Drnec

Materials Chemistry

Spin-optical design of organic radicals for photochemical upconversion

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