The success of a molecular dynamics simulation depends on the accuracy of the force field used to define the atomic interactions. It is challenging to train both classical and modern machine-learning ...

Magnesium hydroxide is a main ingredient in milk of magnesia, a laxative for occasional constipation. Learn about dosing and side effects here.

Increasing species richness toward the equator has been hypothesized to result from elevated temperatures, which increase molecular rates and consequently facilitate rapid speciation. We tested this ...

The degradation of the insulation performance of cross-linked polyethylene (XLPE) during thermal oxidative aging is a crucial factor affecting the safe operation of cables. Investigating the influence ...

ABSTRACT: In this research work, atomic and molecular orbitals based analysis has been made to see electronic structure of platinum halides (platinum dichloride, platinum dibromide, platinum diiodide ...

ABSTRACT: In this research work, atomic and molecular orbitals based analysis has been made to see electronic structure of platinum halides (platinum dichloride, platinum dibromide, platinum diiodide ...

When importing .chk files into the software, the Orbitals toolbar fails to open automatically, which is a critical feature for visualizing molecular orbitals. As a result, the molecular orbitals are ...

We employed LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) (28,29) to simulate the dissolution process of Illite in a sodium hydroxide solution.

BESSY II: Molecular orbitals determine stability Date: February 7, 2024 Source: Helmholtz-Zentrum Berlin für Materialien und Energie Summary: Carboxylic acid dianions (fumarate, maleate and ...