Etanol, 1_propanol ve 2_propanol yapılarının su molekülü ile oluşturdukları dimer kümelerinin teorik incelenmesi
Author:
Publisher
Gumushane University Journal of Science and Technology Institute
Subject
General Engineering
Reference22 articles.
1. Alagona, G., & Tani, A. (1981). Ab initio calculations as a source of intermolecular potential functions. Ethanol-water with a minimal basis set. Journal of Chemical Physics, 74 (7), 3980-3988. https://doi.org/10.1063/1.441578
2. Alavi, S., Takeya, S., Ohmura, R., Woo, T. K., & Ripmeester, J. A. (2010). Hydrogen-bonding alcohol-water interactions in binary ethanol, 1-propanol, and 2-propanol+methane structure II clathrate hydrates. Journal of Chemical Physics, 133 (7), 074505. https://doi.org/10.1063/1.3469776
3. Anisimov, V. M., Vorobyov, I. V., Roux, B., & MacKerell, A. D. (2007). Polarizable empirical force field for the primary and secondary alcohol series based on the classical drude model. Journal of Chemical Theory and Computation, 3 (6), 1927-1946. doi: 10.1021/ct700100a
4. Arunan, E., Desiraju, G. R., Klein, R. A., Sadlej, J., Scheiner, S., Alkorta, I., Clary, D. C., Crabtree, R. H., Dannenberg, J., Hobza, P., Kjaergaard, H. G., Legon, A. C., Mennucci, B., & Nesbitt, D. J. (2011). Definition of the hydrogen bond. Pure and Applied Chemistry, 83 (8), 1637-1641. https://doi.org/10.1351/PAC-REC-10-01-02
5. Bakkas, N., Bouteiller, Y., Loutellier, A., Perchard, J. P., & Racine, S. (1993). The water–methanol complexes. I. a matrix isolation study and an ab initio calculation on the 1‐1 Species. Journal of Chemical Physics, 99 (5), 3335-3342. https://doi.org/10.1063/1.465143
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