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Some Studies in Molecular Orbital Theory. II

✍ Scribed by I'Haya, Yasumasa


Book ID
126265461
Publisher
American Chemical Society
Year
1959
Tongue
English
Weight
806 KB
Volume
81
Category
Article
ISSN
0002-7863

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An attempt is made to test the CNDO/2 based theory of hydrogen bonding by using it to calculate structural parameters for the ire-11 crystal. On the basis of the close agreement between theory and experiment, it is argued that the CNDO/Z method provides a valuable approach to the theoretical study o