Ab initio molecular orbital calculations at the MP2/6-31G\*//MP2/6-31G\* + ZPE level have been performed in order to explore the reaction between CH 3 OH 2 + and CH 3 OH. The detailed mechanism of proton transfer, CH 3 OH 2 + + CH 3 OH ยฎ CH 3 OH + CH 3 OH 2 + , and of cationic nucleophilic substitut
โฆ LIBER โฆ
Tautomerism of Neutral and Protonated 6-Thioguanine in the Gas Phase and in Aqueous Solution. An ab Initio Study
โ Scribed by Alhambra, C.; Luque, F. J.; Estelrich, J.; Orozco, Modesto
- Book ID
- 126843377
- Publisher
- American Chemical Society
- Year
- 1995
- Tongue
- English
- Weight
- 945 KB
- Volume
- 60
- Category
- Article
- ISSN
- 0022-3263
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