A molecular orbital calculation in the CNDO/Z approximation has been used to determine the possiiIe forms of the transition state for the hindered rotation in formamide, and geometrical optimisation is shown to be important in the determination of the theoretical energy barrier.
β¦ LIBER β¦
Semi-empirical Scf-Mo study of the mass spectral fragmentation of tetramethyldiphosphine
β Scribed by James R. Bews; Christopher Glidewell
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 708 KB
- Volume
- 255
- Category
- Article
- ISSN
- 0022-328X
No coin nor oath required. For personal study only.
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The electron impact ionization mass spectra of the p-carboxyphenylsulfonylamide (1), p-carbomethoxyphenylsulfonylamide (2), p-methoxyphenylsulfonylamide (3) and p-fluorophenylsulfonylamide (4), of O,Odiphenyl-thiophosphoric acid, are discussed and interpreted, based on accurate mass measurements and