Accession Number : AD0612586

Title :   A SEMI-EMPIRICAL MO THEORY OF SIGMA ELECTRON SYSTEMS. III. THE BOND ADDITIVITY RULE,

Corporate Author : PENNSYLVANIA UNIV PHILADELPHIA

Personal Author(s) : Hamano,Hidekazu

Report Date : 10 MAR 1964

Pagination or Media Count : 6

Abstract : The aditivity rules for bond energies and bond moments are discussed on the basis of a previously-proposed theory (see AD-612 582). The results show that the apparent additivities are partially caused by accidental cancellations when summing over the molecule and essentially by the invariance of the trace of the matrix representing the molecular quantity. Bond energies are then constant in different molecules, whereas bond moments are not, mainly because of the inductive effect. (Author)

Descriptors :   (*CHEMICAL BONDS, FIELD THEORY), (*MOLECULAR STRUCTURE, FIELD THEORY), ATOMIC ORBITALS, ELECTRONS, ATOMIC ENERGY LEVELS, HEAT OF FORMATION, DIPOLE MOMENTS

Distribution Statement : APPROVED FOR PUBLIC RELEASE