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A SEMI-EMPIRICAL MO THEORY OF SIGMA ELECTRON SYSTEMS. III. THE BOND ADDITIVITY RULE,
PENNSYLVANIA UNIV PHILADELPHIA
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
Pub. in Chemical Society of Japan. Bulletin v37 n11 p1592-7 1964 (Copies available only to DDC users). Also supported by a grant from NSF.
DA AROD31 124G172