Quantum Chemical Analysis of Thermodynamic Parameters of ?-Hydroxy Acid Dimerization at the Air/Water Interface
In the framework of quantum chemical semiempirical method PM3 the thermodynamic and structural parameters of formation and dimerization have been calculated for homochiral ?-hydroxy acids with general formula CnH2nОНCOОH (n = 6–16). On the basis of five optimized monomer structures, dimers with ‘ser...
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| Format: | Article |
| Language: | English |
| Published: |
Chuiko Institute of Surface Chemistry of NAS of Ukraine
2012-11-01
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| Series: | Хімія, фізика та технологія поверхні |
| Online Access: | https://cpts.com.ua/index.php/cpts/article/view/189 |
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