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Method of calculating π-electronic structures by the Hückel method

✍ Scribed by V. S. Fedorov


Publisher
SP MAIK Nauka/Interperiodica
Year
1972
Tongue
English
Weight
204 KB
Volume
13
Category
Article
ISSN
0022-4766

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The reliability of various modiGcations of the extended-Hiickel m&hod in calculating several energy-related quantities was investigated for a group of diatomic mo!ecules. It was found that the total ener,gy cdn be computed fairly accurately, the nccuracy increasing ns the charge distribution is more