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- W2100786806 abstract "The inversion reaction coordinate of free amino acids (alanine, aspartic acid) have been computationally calculated by semi-empirical methods AM1. A transition state for free alanine and aspartic acid were obtained as a three membered ring in which the α-C-H and α-C-CH3 are slightly elongated, 1.2 and 2.17 Å respectively in the alanine transition state. The activation energy of alanine is 77.52 kcal/mol in the gas phase and 76.66 kcal/mol in aqueous phase, and for aspartic acid is 54.87 kcal/mol in the gas phase and 50.86 kcal/mol in aqueous phase." @default.
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- W2100786806 date "2013-09-01" @default.
- W2100786806 modified "2023-10-16" @default.
- W2100786806 title "Theoretical Inversion of Amino Acids (Alanine and Aspartic Acid) by Semi-Empirical Methods" @default.
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- W2100786806 doi "https://doi.org/10.18052/www.scipress.com/ilcpa.12.37" @default.
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