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Ab initio SCF-MO study of hydrogen bonding in benzene…HF

✍ Scribed by Alan Hinchliffe

Publisher
Elsevier Science
Year
1982
Weight
230 KB
Volume
24
Category
Article
ISSN
0378-4487

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✦ Synopsis

A double zeta quality SCF-MO calculation is reported for the C6H6...HF complex.

The hydrogen bond distance and strength are reported together with various one-electron properties.

Changes in electron distribution on complex formation are discussed.

The likely accuracy of the results is inferred from the agreement between previous theoretical and experimental results on the HCN...HF complex.

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