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The use of molecular orbital calculations in the interpretation of the variation in enzyme inhibitory potency of a series of substituted pteridines and triazines

✍ Scribed by P.G. Abdul-Ahad; G.A. Webb

Book ID
119115758
Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
497 KB
Volume
89
Category
Article
ISSN
0166-1280

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πŸ“œ SIMILAR VOLUMES

The use of single exponential orbitals i
The use of single exponential orbitals in one-center molecular orbital calculations
✍ L. L. Combs; Carl P. Miller πŸ“‚ Article πŸ“… 1976 πŸ› John Wiley and Sons 🌐 English βš– 343 KB

## Abstract Single‐exponential Slater type orbitals of the form ψ~1~ = (1 + __L__~1~(__r__, ΞΈ) + __L__~2~(__r__, ΞΈ) +…︁+ __L__~__n__~(__r__, ΞΈ)) exp (βˆ’ Ξ±__r__) are examined for their potential use as one‐center molecular orbitals. These are then to be used as molecular fragments in a LCMO study. Th