Molecular Orbital Theory II
Comparing Intermolecular Forces: Melting Point, Boiling Point, and Miscibility
Intermolecular Forces and Physical Properties
MO Theory and Covalent Bonding
The Energies of Atomic Orbitals
VSEPR Theory
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Updated: Oct 5, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
Published on: September 17, 2021
Houfei Yuan1, Zhen Zhang2, Walter Kob1,3
1School of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240, China.
Binary hard sphere mixtures exhibit surprising order at larger scales, with symmetry dependent on particle size ratio. Efficient packing correlates with maximum local disorder, revealing complex structural properties.
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