The equilibrium structure and two important molecular properties, the dipole moment and the nuclear quadrupole coupling constants, of diazirine have been investigated theoretically at high level of theory. Very accurate results, which can be favourably compared to the experiment, are presented. As f
โฆ LIBER โฆ
An ab initio study of the structure, tautomerism and molecular properties of the C- and N-amino-1,2,4-triazoles
โ Scribed by Michael H. Palmer; Dines Christen
- Publisher
- Elsevier Science
- Year
- 2004
- Tongue
- English
- Weight
- 232 KB
- Volume
- 705
- Category
- Article
- ISSN
- 0022-2860
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