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Ab-initio study on the inter-molecular interactions in polythiophene

✍ Scribed by P. Puschnig; C. Ambrosch-Draxl


Book ID
117537876
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
529 KB
Volume
119
Category
Article
ISSN
0379-6779

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Ab initio configuration interaction calc
✍ John D. Goddard; Imre G. Csizmadia πŸ“‚ Article πŸ“… 1979 πŸ› Elsevier Science 🌐 English βš– 771 KB

## Results of ab initia configuration interaction ulculations are presented for s simple model of molecuIar ewimers. (H4)\*-Preliminary SCF cafcufations ;1s treli as several berets of CI are discussed for the Ioant three singler and triplet states of H4. Square, rectzmguIzr\_ and reg&r tmpezoidal