Internal rotations of aromatic polyamides: a density functional theory study

Density-functional thermochemistry. III. The role of exact exchange

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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

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Electron Density, Gradient Expansions, Engineering +14

Statistical mechanics of chain molecules

Paul J. Flory, M.V. Volkenstein · Biopolymers · 1969 · 6.4K citations

Engineering, Statistical Mechanics, Chain Molecules +3

The effect of d-functions on molecular orbital energies for hydrocarbons

P. C. Hariharan, John A. Pople · Chemical Physics Letters · 1972 · 1.1K citations

Molecular Orbital Energies, Physics, Natural Sciences +5

Statistical mechanics of chain molecules

H. Mark · Journal of the Franklin Institute · 1970 · 740 citations

Engineering, Statistical Mechanics, Chain Molecules +3