MNDO Cluster Model Calculations on Organic Polymers

Abstract

Heats of formation and unit cell translation vectors for several organic polymers are calculated using the MNDO method. The results compare favorably with experiment; the magnitude of the errors is comparable to those of the MNDO method when applied to molecules. Keywords: Heat of polymerization; Clusters. Reprints.

Open PDF

Document Details

Document Type
Technical Report
Publication Date
Jan 01, 1987
Accession Number
ADA211024

Entities

People

  • Peter Stewart

Organizations

  • Air Force Research Laboratory

Tags

Communities of Interest

  • C4I

DTIC Thesaurus Topics

  • Alkenes
  • Atomic Orbitals
  • Band Structures
  • Brillouin Zones
  • Chemical Synthesis
  • Chemistry
  • Computational Science
  • Dienes
  • Ethylene Oxide
  • Ethylenes
  • Heat Energy
  • Heat Of Formation
  • Molecules
  • Organic Chemistry
  • Polymers
  • Propenes

Readers

  • Combustion science or combustion engineering.
  • Control Systems Engineering.
  • Nanoscale Plasmonic Nanotechnology