Accession Number : AD0720868

Title :   Theoretical Studies on the Structure of Inorganic and Organometallic Compounds.

Descriptive Note : Final rept.,

Corporate Author : TENNESSEE UNIV KNOXVILLE DEPT OF CHEMISTRY

Personal Author(s) : Bloor,John E.

Report Date : MAR 1971

Pagination or Media Count : 21

Abstract : Progress in the following areas is reported: The calculation of molecular properties by semi-empirical MO methods; The development of an approximate non-empirical MO method - The LEDO method; and The development of a noniterative extended Huckel method for calculations of ground state and excited state properties of organo metallic compounds such as Zeises salt. (Author)

Descriptors :   (*INORGANIC COMPOUNDS, *MOLECULAR ORBITALS), (*COMPLEX COMPOUNDS, MOLECULAR ORBITALS), (*AMINES, MOLECULAR ORBITALS), CHEMICAL BONDS, BORANES

Subject Categories : Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE