Electron iso-density surfaces provide a thermodynamically consistent representation of atomic and molecular surfaces
A Alibakhshi, LV Schäfer - Nature Communications, 2024 - nature.com
The surface area of atoms and molecules plays a crucial role in shaping many
physiochemical properties of materials. Despite its fundamental importance, precisely …
physiochemical properties of materials. Despite its fundamental importance, precisely …
Formation of Twin-Free Single Phase β-In2Se3 Layers via Selenium Diffusion into InP(111)B Substrate
KS Wickramasinghe, CR Forrester… - Crystal Growth & …, 2024 - ACS Publications
Indium selenide, In2Se3, has recently attracted growing interest due to its remarkable
properties, including room temperature ferroelectricity, outstanding photoresponsivity, and …
properties, including room temperature ferroelectricity, outstanding photoresponsivity, and …
Thermodynamically Consistent Atomic Radii of Main Group Elements
A Alibakhshi, LV Schäfer - 2024 - chemrxiv.org
Atomic radius is a fundamentally important quantity shaping multiple properties of atoms,
molecules, and materials. Due to its fundamental importance, precise quantification and …
molecules, and materials. Due to its fundamental importance, precise quantification and …
Reconciling Experiment with Quantum Chemical Calculations: Electron Iso-Density Surfaces Represent Atomic and Molecular Surfaces
A Alibakhshi, LV Schäfer - 2024 - chemrxiv.org
The surface area of atoms and molecules plays a crucial role in shaping many
physiochemical properties of materials. Despite its fundamental importance, precisely …
physiochemical properties of materials. Despite its fundamental importance, precisely …