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Calculations on the pyrazine-lithium system by the CNDO LHP method

✍ Scribed by S. Miertuš; O. Kyseľ

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
261 KB
Volume
35
Category
Article
ISSN
0009-2614

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✦ Synopsis

Thhe restricted CNDOl.5 LHP method hss bern employed TO calculate the pymzil~*z-lithium systcm_The ch~ge transfer from lithium to pyrazinc is interpreted. It is shown that Li+ lias in the plant: of the pyrazine ring in the direction of the nitrogen lone-pair electrons. The stabilization of this ion pair is stroqly supported by solwtion energy.

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