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Comparison of calculation results using 5-, 7-, and 11-component air models

✍ Scribed by I. M. Gurovich; V. G. Shcherbak


Book ID
104979317
Publisher
Springer US
Year
1993
Tongue
English
Weight
360 KB
Volume
64
Category
Article
ISSN
1573-871X

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πŸ“œ SIMILAR VOLUMES


AM1 calculations on inclusion complexes
✍ Antigone Botsi; Konstantina Yannakopoulou; Eugene Hadjoudis; John Waite πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 961 KB

Semiempirical calculations on cyclomaltoheptaose (beta CD), 1,7-dioxaspiro[5.5]undecane (1), nonanal (2), and the inclusion complexes of beta CD with 1 and 2 were carried out using the AM1 method. The structure of beta CD after complete geometry optimization was in very good agreement with crystallo