Förster-Induced Energy Transfer in Functionalized Graphene | The Journal of Physical Chemistry C
Causal structure of interacting Weyl fermions in condensed matter systems | Nature Communications
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
Au38(SPh)24: Au38 Protected with Aromatic Thiolate Ligands | The Journal of Physical Chemistry Letters
PDF) Screening nature of the van der Waals density functional method: a review and analysis of the many-body physics foundation
Crossed Luttinger liquid hidden in a quasi-two-dimensional material | Nature Physics
Evidence for chiral superconductivity on a silicon surface | Nature Physics
Anodic Activity of Hydrated and Anhydrous Iron (II) Oxalate in Li-Ion Batteries
Condensed Matter | Free Full-Text | Influence of f Electrons on the Electronic Band Structure of Rare-Earth Nickelates
Chemical inhomogeneity–induced profuse nanotwinning and phase transformation in AuCu nanowires | Nature Communications
Influence of Confinement on Barriers for Alkoxide Formation in Acidic Zeolites - Fečík - 2021 - ChemCatChem - Wiley Online Library
Chirality locking charge density waves in a chiral crystal | Nature Communications
Electron-phonon interaction and charge carrier mass enhancement in SrTiO3 – arXiv Vanity
Stable Structural Phase of Potassium-Doped p-Terphenyl and Its Semiconducting State | The Journal of Physical Chemistry C
PDF) Noncollinear magnetism in a monolayer of 2D CrTe$_2$
IJMS | Free Full-Text | Review of Applications of Density Functional Theory (DFT) Quantum Mechanical Calculations to Study the High-Pressure Polymorphs of Organic Crystalline Materials
Binding of Pt Nanoclusters to Point Defects in Graphene: Adsorption, Morphology, and Electronic Structure | 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
Condensed Matter | Free Full-Text | Properties of Blue Phosphorene Nanoribbon-P3HT Polymer Heterostructures: DFT First Principles Calculations
IJMS | Free Full-Text | A Density Functional Theory (DFT) Perspective on Optical Absorption of Modified Graphene Interacting with the Main Amino Acids of Spider Silk
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
Importance of the Kinetic Energy Density for Band Gap Calculations in Solids with Density Functional Theory | The Journal of Physical Chemistry A
PDF) Hydrogen transport in superionic system Rb3H(SeO4)2: A revised cooperative migration mechanism
The PYXAID Program for Non-Adiabatic Molecular Dynamics in Condensed Matter Systems | Journal of Chemical Theory and Computation
Theoretical Predictions of Freestanding Honeycomb Sheets of Cadmium Chalcogenides | The Journal of Physical Chemistry C
