Advanced Physical and Chemical Molecular Interactions
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Scope of this subject
This cluster of papers covers a wide range of topics in computational chemistry, molecular simulation, and polymer physics. It includes research on density-functional theory, quantum mechanics, statistical mechanics, chemical kinetics, and the application of computational methods to study the properties and behavior of polymers at the molecular level.
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Research vocabulary
unimolecular reactions; reaction rate theory; quasiclassical trajectory; hard-sphere fluid; reaction probability; reactive scattering; direct correlation function; RRKM theory; integral equation theory; variational transition state theory; thermal rate constants; polymer chain statistics; Ewald summation; liquid state theory; statistical mechanics of liquids; quasiclassical trajectory calculations; H + H2 reaction; Ornstein-Zernike equation; SPC/E water model; statistical mechanics of polymers; Percus-Yevick approximation; molecular fluids; reactive collisions; transition path sampling; chain molecules
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Numeric address and provenance
Morton address: 36183587707587665 · morton4x16-v1
Coordinates: (3, 16, 1606, 12044). The address interleaves categorical identifier bits. Nearby addresses are not guaranteed to describe semantically similar subjects.
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