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Ab initio electronic structure of the progestogen norethisterone and its 5α-derivatives

✍ Scribed by Carlos Kubli-Garfias; Ricardo Vázquez; Austin J Cooney; Fernando Larrea

Book ID
117668403
Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
378 KB
Volume
82
Category
Article
ISSN
0960-0760

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## Abstract __Ab initio__ SCF‐LCAO‐MO calculations have been performed for TCNQ and its positive and negative ions in various electronic states. A basis set consisting of 412 primitive Gaussian type orbitals contracted to 180 was used in the investigation. The electron density distribution in TCNQ