The conformation of the L-alanine zwitterion (ALAZ) in aqueous solution was examined by an ab initio MO method including the solvent effect with the generalized Born (GB) equation. The geometry optimization with the 6-31++G\* basis set gave the (, ) = (80, 8) conformation as the most stable conforma
β¦ LIBER β¦
Conformational Complexity of Succinic Acid and Its Monoanion in the Gas Phase and in Solution: Ab Initio Calculations and Monte Carlo Simulations
β Scribed by Price, Daniel J.; Roberts, John D.; Jorgensen, William L.
- Book ID
- 118068859
- Publisher
- American Chemical Society
- Year
- 1998
- Tongue
- English
- Weight
- 164 KB
- Volume
- 120
- Category
- Article
- ISSN
- 0002-7863
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