The energies, geometries, and vibrational frequencies of the experimentally uncharacterized fluorothioformyl, FCS, and chlorothioformyl, CICS, radicals are predicted from ab initio theory. Theoretical results for the thiocarbonyl halides, F&S and CI,CS, are presented for calibration of the methods a
Structures, energies and vibrational frequencies of dinitrogen pentoxide
โ Scribed by S. Parthiban; B.N. Raghunandan; R. Sumathi
- Book ID
- 114141961
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 688 KB
- Volume
- 367
- Category
- Article
- ISSN
- 0166-1280
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๐ SIMILAR VOLUMES
Ab initio restricted Harrree-rock sclf-consistcnt-Iield molecular orbits1 calculations at the STO-3G and J-31C baas set levels have been used to determme the mimmum-rnergy ~IIUC~UIC oiduorrogen pcntokidc, NzOj-The c~cuht~oos~ho~v that NaOs has an anhydride-type structure wth its mtro groups rotated
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