- Tytuł:
- Theoretical Inversion of Amino Acids (Alanine and Aspartic Acid) by Semi-empirical Methods
- Autorzy:
- Mohamed, M. E.
- Powiązania:
- https://bibliotekanauki.pl/articles/412336.pdf
- Data publikacji:
- 2013
- Wydawca:
- Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
- Tematy:
-
inversion
alanine
aspartic
semi-empirical methods
AM1 - Opis:
- 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.
- Źródło:
-
International Letters of Chemistry, Physics and Astronomy; 2013, 7, 1; 37-44
2299-3843 - Pojawia się w:
- International Letters of Chemistry, Physics and Astronomy
- Dostawca treści:
- Biblioteka Nauki
Artykuł