| Autor: |
IRSAI, Izabella, PESEK, Szilárd Zoltán, SILAGHI-DUMITRESCU, Radu |
| Předmět: |
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| Zdroj: |
Studia Universitatis Babes-Bolyai, Chemia; Dec2022, Vol. 67 Issue 4, p47-72, 26p |
| Abstrakt: |
Geometry optimization of perpendicular, antiparallel and parallel dimers were employed in order to analyze the relative energy values. The weakest interactions are seen for the perpendicular structures; among those, the strongest are for π, 310, while the DeSantis structure affords no local minimum at all. The strongest interactions are seen with parallel structures – of which the largest interaction energies are with the DeSantis and the π monomers (up to 2.8 and 4.2 kcal/mol per unit of lactic acid, respectively). [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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