## Abstract The total energy and the electronic properties of some __syn__ purine nucleosides have been determined as a function of the rotation angle around the C–N glycosidic linkage. Invariably, the crystallographic coordinates provide a state lying at or very near the minimum on the potential e
✦ LIBER ✦
An attempted application of the extended hückel molecular orbital approach to reactions involving charged species
✍ Scribed by A. C. Hopkinson; R. A. McClelland; K. Yates; I. G. Csizmadia
- Publisher
- Springer
- Year
- 1969
- Tongue
- English
- Weight
- 610 KB
- Volume
- 13
- Category
- Article
- ISSN
- 1432-2234
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In this article, we present a study of the localization and properties of the molecular orbitals (MOs) of polyatomic systems by using a comprehensive version of the G1 model. In this version, the wave function is written as a DODS product of univocally determined spin orbitals (MOs), "projected" on