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The simulated ab initio molecular orbital (SAMO) method. VIII. A study of linear polyfluoroethylenes and polychloroethylenes

✍ Scribed by B. J. Duke; Brian O'leary


Publisher
John Wiley and Sons
Year
1984
Tongue
English
Weight
874 KB
Volume
26
Category
Article
ISSN
0020-7608

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The simulated ab-initio molecular orbita
✍ B.J. Duke; B. O'Leary πŸ“‚ Article πŸ“… 1973 πŸ› Elsevier Science 🌐 English βš– 412 KB

The application of the simulated ab-initio molecular orbital (SAhIO) method -a new non-empirical techniqueto the band structure of polymers is reported. The method uses full ab-initio results on small molecules to construct for polymers molecular orbitals which simulate those obtained from full ab-i