Publications by Jennifer I Chavez

Publications by authors named "Jennifer I Chavez"

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Isomers of C20: an energy profile III.

Jennifer I Chavez Maira M Carrillo Kyle A Beran

J Comput Chem

February 2004

Semiempirical calculations, at the PM3 level provided within the Winmopac v2.0 software package, are used to geometrically optimize and determine the absolute energies (heats of formation) of a variety of C(20) isomers that are predicted to exist in and around the ring and cage isomers. Using the optimized Cartesian coordinates for the ring and the cage isomers, a saddle-point calculation was performed.

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