Browsing Academic Departments, Programs, and SIPs by Subject "Intramolecular dynamics"

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The Determination of a Mathematical Relationship Between the Binding Energy of a System and its Intermolecular Coordinates

Willard, Randall (1991)

An ab initio molecular orbital calculation program named GAMESS (General Atomic and Molecular Electronic Structure System) was used to calculate the potential energies of varying geometrical configurations of a ...