Maksić, Zvonimir; Eckert-Maksić, Mirjana
(1970)
Some remarks on the use of experimental bond lengths in the maximum overlap method.
Croatica Chemica Acta, 42
.
pp. 433-438.
ISSN 0011-1643
Abstract
The hybridization in norbornane, ethane, acetylene, cyclo- propane, cyclobutane and cyclopentane has been reexamined by the maximum overlap calculations based on experimental bond lengths. The irregularity in the variations of the C—C bond lengths in small ring hydrocarbons is discussed and a qualitative agreement with the experimental bond lengths has been found. The results also indicate that the use of experimental molecular geometry is advantageous for the maximum overlap method.
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