Superconductivity Above 100 K Predicted in Carbon‐Cage Network - Hai - Advanced Science - Wiley Online Library
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Evidence for chiral superconductivity on a silicon surface | Nature Physics
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Causal structure of interacting Weyl fermions in condensed matter systems | Nature Communications
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Importance of the Kinetic Energy Density for Band Gap Calculations in Solids with Density Functional Theory | The Journal of Physical Chemistry A
Full article: Density-functional tight-binding: basic concepts and applications to molecules and clusters
Condensed Matter | Free Full-Text | Ab Initio Study of the Electronic, Vibrational, and Mechanical Properties of the Magnesium Diboride Monolayer
Influence of Confinement on Barriers for Alkoxide Formation in Acidic Zeolites - Fečík - 2021 - ChemCatChem - Wiley Online Library
Förster-Induced Energy Transfer in Functionalized Graphene | The Journal of Physical Chemistry C
Entropy | Free Full-Text | A Computational Quantum-Based Perspective on the Molecular Origins of Life’s Building Blocks
Electron transport and scattering mechanisms in ferromagnetic monolayer Fe3GeTe2 | npj 2D Materials and Applications
Materials | Free Full-Text | Electronic Structure and Optical Properties of Inorganic Pm3m and Pnma CsPbX3 (X = Cl, Br, I) Perovskite: A Theoretical Understanding from Density Functional Theory Calculations
Anodic Activity of Hydrated and Anhydrous Iron (II) Oxalate in Li-Ion Batteries
Accuracy of Intermolecular interaction Energies, Particularly Those of Hetero Atom Containing Molecules Obtained by van der Waals DFT Calculations - Tsuzuki - 2023 - ChemistrySelect - Wiley Online Library
Stable Structural Phase of Potassium-Doped p-Terphenyl and Its Semiconducting State | The Journal of Physical Chemistry C
Theoretical Predictions of Freestanding Honeycomb Sheets of Cadmium Chalcogenides | The Journal of Physical Chemistry C
Condensed Matter | Free Full-Text | Ab Initio Study of Structural, Electronic, and Thermal Properties of Pt/Pd-Based Alloys
PDF) Defect induced magnetism in highly oriented pyrolytic graphite: bulk magnetization and F-19 hyperfine interaction studies
Strain-tunable Berry curvature in quasi-two-dimensional chromium telluride | Nature Communications
Condensed Matter | Free Full-Text | Anodic Potential and Conversion Chemistry of Anhydrous Iron (II) Oxalate in Na-Ion Batteries
