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INDO [intermediate neglect of differential overlap] molecular orbital study of .alpha.-heteroatom nitrenes

โœ Scribed by Hayes, Larry J.; Billingsley, Frank P.; Trindle, Carl.


Book ID
126307098
Publisher
American Chemical Society
Year
1972
Tongue
English
Weight
740 KB
Volume
37
Category
Article
ISSN
0022-3263

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On the justifiability of neglect of diff
โœ K.R. Roby ๐Ÿ“‚ Article ๐Ÿ“… 1971 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 618 KB

A theorem found recentIy is used to justify dirktly the NDDO approximate MoIecuhr hrbitai method. A simifar ,' justikation of CNDO-type methods cannot be obtained. The theorem also suggests how previous treatments based '\_ .' on a power series expansion may be generaiiscd so that divergence difficu