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366

The sensitive aspects of modelling polymer-ceramic composite solid-state electrolytes by molecular dynamics simulations

20 October 2023 by Melania Kozdra and others at

Uppsala University

Theoretical and Computational Chemistry, Energy

Predicting ion diffusion from the shape of potential energy landscapes

18 October 2023 by Hannes Gustafsson and others at

Uppsala University

Theoretical and Computational Chemistry, Energy

Kraft lignin-derived micro- and mesoporous nitrogen-doped carbon adsorbent for air and water purification

18 October 2023 by Oleg Tkachenko and others at

Uppsala University

Physical Chemistry, Nanoscience

TSO Games -- On the decidability of safety games under the total store order semantics

2 October 2023 by Stephan Spengler and Sanchari Sil at

Uppsala University

Computer Science and Game Theory

Reaching for the stars -- JWST/NIRSpec spectroscopy of a lensed star candidate at

z=4.76

25 September 2023 by Lukas Furtak and others at Ben-Gurion University of the Negev

Astrophysics of Galaxies, Cosmology and Nongalactic Astrophysics

The Synthesis of Carboxylate Rich Alicyclic Molecules for the Investigation of the Chemical Space of Dissolved Organic Matter

22 September 2023 by Alexander Craig and others at

Uppsala University

Organic Chemistry, Analytical Chemistry

Functional imaging of conduction dynamics in cortical and spinal axons

22 August 2023 by Radivojevic, M. and Rostedt Punga, A. at

Uppsala University

Neuroscience

Accessing Metal-Specific Orbital Interactions in C-H Activation using Resonant Inelastic X-ray Scattering

26 July 2023 by Ambar Banerjee and others at

Uppsala University

Theoretical and Computational Chemistry, Physical Chemistry

Deciphering the existence of hexagonal sodium zirconate CO2 sorbent

18 July 2023 by Ribooga Chang and others at

Uppsala University

Materials Science, Inorganic Chemistry

The Role of Oxygen in Automotive Grade Lithium-Ion Battery Cathodes: An Atomistic Survey of Ageing

17 July 2023 by Anastasiia Mikheenkova and others at

Uppsala University

Energy, Energy Storage

Reversible Hydration Enabling High-Rate Aqueous Li-ion Batteries

11 July 2023 by Leiting Zhang and others at

Uppsala University

Inorganic Chemistry, Energy

The Role of Benzothiadiazole Unit in Organic Polymers on Photocatalytic Hydrogen Production

11 July 2023 by Martin Axelsson and others at

Uppsala University

Catalysis, Energy

Semileptonic decays of spin-entangled baryon-antibaryon pairs

5 July 2023 by Varvara Batozskaya and others at

Uppsala University

High Energy Physics

Automated Analysis of Nano-Impact Single-Entity Electrochemistry Signals using Unsupervised Machine Learning and Template Matching

23 June 2023 by Ziwen Zhao and others at

Uppsala University

Theoretical and Computational Chemistry, Physical Chemistry

Structure and its transformation of elliptical nege-like virus Tanay virus

13 June 2023 by Okamoto, K. and others at

Uppsala University

Biophysics

Rapid Traversal of Ultralarge Chemical Space using Machine Learning Guided Docking Screens

10 May 2023 by Andreas Luttens and others at

Uppsala University

Machine Learning, Computational Chemistry and Modeling

How reproducible is the synthesis of Zr--porphyrin metal--organic frameworks? An interlaboratory study

10 May 2023 by Hanna Boström and others at

Uppsala University

Materials Chemistry, Coordination Chemistry

Smooth Things Come in Threes: A Diabatic Surrogate Model for Conical Intersection Optimization

27 April 2023 by Ignacio Fdez. Galván and Roland Lindh at

Uppsala University

Machine Learning, Computational Chemistry and Modeling

Ageing of High Energy Density Automotive Li-ion Batteries: The Effect of Temperature and State-of-Charge

26 April 2023 by Anastasiia Mikheenkova and others at

Uppsala University

Energy, Energy Storage

Simulating fluorine K-edge resonant inelastic X-ray scattering of sulfur hexafluoride and the effect of dissociative dynamics

21 April 2023 by Ambar Banerjee and others at

Uppsala University

Spectroscopy, Quantum Mechanics

Remote Electrostatic Repulsion Trigged by Excited State Antiaromaticity Relief as Origin of Photoacidity in an Organic Dye

20 April 2023 by Leandro Cid Gomes and others at

Uppsala University

Computational Chemistry and Modeling, Theoretical and Computational Chemistry

Hydrogen production by a fully de novo enzyme

17 April 2023 by Sigrid Berglund and others at

Uppsala University

Catalysis, Photocatalysis

One-Center Corrected Two-Electron Integrals in Inner Projection based Integral Evaluation

13 April 2023 by Danjo Chavez and Roland Lindh at

Uppsala University

Theory, Theoretical and Computational Chemistry

The lowest nπ* states of heteroaromatics: When and in what way are they aromatic or antiaromatic?

30 March 2023 by Nathalie Proos Vedin and others at

Uppsala University

Photochemistry, Organic Chemistry

Effect of pore mesostructure on the electrooxidation of glycerol on Pt mesoporous catalysts

17 March 2023 by Athira Anil and others at

Uppsala University

Catalysis, Nanostructured Materials

Simulation-guided engineering of split GFPs with efficient beta-strand photodissociation

27 February 2023 by Yasmin Shamsudin and others at

Uppsala University

Computational Chemistry and Modeling, Biological and Medicinal Chemistry

Selective capture and separation of potent greenhouse gases with gallium- and vanadium-based metal-organic frameworks

14 February 2023 by Michelle Åhlén and others at

Uppsala University

Materials Science, Materials Chemistry

Structural tuning of fluorinated hybrid ultramicroporous materials (HUMs) for low-concentration CO2 capture

14 February 2023 by Ribooga Chang and others at

Uppsala University

Materials Science, Nanostructured Materials

Nano-impact single-entity electrochemistry enables plasmon-enhanced electrocatalysis

14 February 2023 by Sagar Ganguli and others at

Uppsala University

Catalysis, Electrochemistry

Towards combined photobiological-photochemical formation of kerosene-type biofuels: Which small 1,3-diene photodimerizes most efficiently?

8 February 2023 by Sindhujaa Vajravel and others at

Uppsala University

Fuels, Photochemistry