The Topological Analysis of the ELFx Localization Function: Quantitative Prediction of Hydrogen Bonds in the Guanine–Cytosine Pair
Abstract
:1. Introduction
2. Electron Localization Function for Chemical Reactivity
3. Theoretical Model
3.1. Coulomb Intermolecular Interaction Energy
3.2. Electron Transfer
3.3. Practical Interactions Model
4. Results and Discussion
5. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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Klein, J.; Fleurat-Lessard, P.; Pilmé, J. The Topological Analysis of the ELFx Localization Function: Quantitative Prediction of Hydrogen Bonds in the Guanine–Cytosine Pair. Molecules 2021, 26, 3336. https://doi.org/10.3390/molecules26113336
Klein J, Fleurat-Lessard P, Pilmé J. The Topological Analysis of the ELFx Localization Function: Quantitative Prediction of Hydrogen Bonds in the Guanine–Cytosine Pair. Molecules. 2021; 26(11):3336. https://doi.org/10.3390/molecules26113336
Chicago/Turabian StyleKlein, Johanna, Paul Fleurat-Lessard, and Julien Pilmé. 2021. "The Topological Analysis of the ELFx Localization Function: Quantitative Prediction of Hydrogen Bonds in the Guanine–Cytosine Pair" Molecules 26, no. 11: 3336. https://doi.org/10.3390/molecules26113336