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The PYXAID Program for Non-Adiabatic Molecular Dynamics in Condensed Matter  Systems | Journal of Chemical Theory and Computation
The PYXAID Program for Non-Adiabatic Molecular Dynamics in Condensed Matter Systems | Journal of Chemical Theory and Computation

Chirality locking charge density waves in a chiral crystal | Nature  Communications
Chirality locking charge density waves in a chiral crystal | Nature Communications

PDF) Noncollinear magnetism in a monolayer of 2D CrTe$_2$
PDF) Noncollinear magnetism in a monolayer of 2D CrTe$_2$

PDF) Hydrogen transport in superionic system Rb3H(SeO4)2: A revised  cooperative migration mechanism
PDF) Hydrogen transport in superionic system Rb3H(SeO4)2: A revised cooperative migration mechanism

Entropy | Free Full-Text | A Computational Quantum-Based Perspective on the  Molecular Origins of Life’s Building Blocks
Entropy | Free Full-Text | A Computational Quantum-Based Perspective on the Molecular Origins of Life’s Building Blocks

Evidence of pseudogravitational distortions of the Fermi surface geometry  in the antiferromagnetic metal FeRh | Communications Physics
Evidence of pseudogravitational distortions of the Fermi surface geometry in the antiferromagnetic metal FeRh | Communications Physics

Electron transport and scattering mechanisms in ferromagnetic monolayer  Fe3GeTe2 | npj 2D Materials and Applications
Electron transport and scattering mechanisms in ferromagnetic monolayer Fe3GeTe2 | npj 2D Materials and Applications

Condensed Matter | Free Full-Text | Ab Initio Study of the Electronic,  Vibrational, and Mechanical Properties of the Magnesium Diboride Monolayer
Condensed Matter | Free Full-Text | Ab Initio Study of the Electronic, Vibrational, and Mechanical Properties of the Magnesium Diboride Monolayer

IJMS | Free Full-Text | The Structure Properties of Carbon Materials Formed  in 2,4,6-Triamino-1,3,5-Trinitrobenzene Detonation: A Theoretical Insight  for Nucleation of Diamond-like Carbon
IJMS | Free Full-Text | The Structure Properties of Carbon Materials Formed in 2,4,6-Triamino-1,3,5-Trinitrobenzene Detonation: A Theoretical Insight for Nucleation of Diamond-like Carbon

Causal structure of interacting Weyl fermions in condensed matter systems |  Nature Communications
Causal structure of interacting Weyl fermions in condensed matter systems | Nature Communications

Superconductivity Above 100 K Predicted in Carbon‐Cage Network - Hai -  Advanced Science - Wiley Online Library
Superconductivity Above 100 K Predicted in Carbon‐Cage Network - Hai - Advanced Science - Wiley Online Library

Förster-Induced Energy Transfer in Functionalized Graphene | The Journal of  Physical Chemistry C
Förster-Induced Energy Transfer in Functionalized Graphene | The Journal of Physical Chemistry C

Binding of Pt Nanoclusters to Point Defects in Graphene: Adsorption,  Morphology, and Electronic Structure | The Journal of Physical Chemistry C
Binding of Pt Nanoclusters to Point Defects in Graphene: Adsorption, Morphology, and Electronic Structure | The Journal of Physical Chemistry C

Chemical inhomogeneity–induced profuse nanotwinning and phase  transformation in AuCu nanowires | Nature Communications
Chemical inhomogeneity–induced profuse nanotwinning and phase transformation in AuCu nanowires | Nature Communications

Condensed Matter | Free Full-Text | Properties of Blue Phosphorene  Nanoribbon-P3HT Polymer Heterostructures: DFT First Principles Calculations
Condensed Matter | Free Full-Text | Properties of Blue Phosphorene Nanoribbon-P3HT Polymer Heterostructures: DFT First Principles Calculations

Au38(SPh)24: Au38 Protected with Aromatic Thiolate Ligands | The Journal of  Physical Chemistry Letters
Au38(SPh)24: Au38 Protected with Aromatic Thiolate Ligands | The Journal of Physical Chemistry Letters

Two-Dimensional Iron Tungstate: A Ternary Oxide Layer With Honeycomb  Geometry | The Journal of Physical Chemistry C
Two-Dimensional Iron Tungstate: A Ternary Oxide Layer With Honeycomb Geometry | The Journal of Physical Chemistry C

Anodic Activity of Hydrated and Anhydrous Iron (II) Oxalate in Li-Ion  Batteries
Anodic Activity of Hydrated and Anhydrous Iron (II) Oxalate in Li-Ion Batteries

Crossed Luttinger liquid hidden in a quasi-two-dimensional material |  Nature Physics
Crossed Luttinger liquid hidden in a quasi-two-dimensional material | Nature Physics

PDF) Defect induced magnetism in highly oriented pyrolytic graphite: bulk  magnetization and F-19 hyperfine interaction studies
PDF) Defect induced magnetism in highly oriented pyrolytic graphite: bulk magnetization and F-19 hyperfine interaction studies

Influence of Confinement on Barriers for Alkoxide Formation in Acidic  Zeolites - Fečík - 2021 - ChemCatChem - Wiley Online Library
Influence of Confinement on Barriers for Alkoxide Formation in Acidic Zeolites - Fečík - 2021 - ChemCatChem - Wiley Online Library

Condensed Matter | Free Full-Text | Ab Initio Study of Structural,  Electronic, and Thermal Properties of Pt/Pd-Based Alloys
Condensed Matter | Free Full-Text | Ab Initio Study of Structural, Electronic, and Thermal Properties of Pt/Pd-Based Alloys

Strain-tunable Berry curvature in quasi-two-dimensional chromium telluride  | Nature Communications
Strain-tunable Berry curvature in quasi-two-dimensional chromium telluride | Nature Communications

Condensed Matter | Free Full-Text | Structural, Electronic, and Optical  Properties of Wurtzite VxAl1−xN Alloys: A First-Principles Study
Condensed Matter | Free Full-Text | Structural, Electronic, and Optical Properties of Wurtzite VxAl1−xN Alloys: A First-Principles Study

Condensed Matter | Free Full-Text | Influence of f Electrons on the  Electronic Band Structure of Rare-Earth Nickelates
Condensed Matter | Free Full-Text | Influence of f Electrons on the Electronic Band Structure of Rare-Earth Nickelates