A theoretical study on the gas-phase protonation of pyridine and phosphinine derivatives
✍ Scribed by Zielinski, François; Tognetti, Vincent; Joubert, Laurent
- Book ID
- 120616018
- Publisher
- Springer-Verlag
- Year
- 2013
- Tongue
- English
- Weight
- 366 KB
- Volume
- 19
- Category
- Article
- ISSN
- 1610-2940
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📜 SIMILAR VOLUMES
The tautomerism and protonation of 8-azaguanine (azaG) have been studied by means of ab initio methods, both in the gas phase and in aqueous solution. An elimination procedure to choose the most stable tautomeric forms, based on AM1 and HF/6-31G\* energies, has been applied. Tautomers azaG(1,9), aza
YAMABE &pUfttJJCJJt Of ~JettJJSW,', h'atw ~JJJLWIJ!,' of EducoIrott. h'ara, JU~J Rrcencd 5 Jxwry 1982 The ion clusi~rs H+(CHaOH), 01 = l-4) and H+[(CH-J20],, 01 = l-3) are inresi@ed by means of SCT compulatlons w?th the 4-31G basis sct.Thc H\*(CHjOH)JJ cluster is found to bc cnlxgcd m the zigzag for