THE APPLICATION OF MOLECULAR ORBITALS TO THE STUDY OF SIMPLE MULTI-ATOMIC SYSTEMS.

Abstract

Fundamental assumptions regarding the a priori value of the molecular orbital method in obtaining qualitative information about the chemical kinetics of interacting molecules are summarized. Application of these considerations to the H4 complex intermediate in the reaction of two H2 molecules, the hydrogen-halogen reactions, the linear H3 complex, and the interaction of Be and H2 is summarized. In addition, quantitative results for LCAO-MO-SCF studies of H4, H3, and He2 are discussed in the light of these considerations. LCAO-MO-SCF studies of NH, LiHe (LiHe+ and LiHe-), H2+, and H2 are summarized. (Author)

Document Details

Document Type
Technical Report
Publication Date
Oct 31, 1963
Accession Number
AD0435425

Entities

People

  • Virginia Griffing

Organizations

  • The Catholic University of America

Tags

DTIC Thesaurus Topics

  • Chemical Kinetics
  • Chemistry
  • Dynamics
  • Elements
  • Hydrogen
  • Kinetics
  • Molecules
  • Physics

Fields of Study

  • Chemistry

Readers

  • Academic Conference Management
  • Quantum Chemistry
  • Theoretical Analysis.

Technology Areas

  • Space