Abstract Double-core-hole potentials of cytosine tautomers were calculated within the framework of the density functional theory. The differences between the relaxation energies of these tautomers were visualized using a Wagner… Click to show full abstract
Abstract Double-core-hole potentials of cytosine tautomers were calculated within the framework of the density functional theory. The differences between the relaxation energies of these tautomers were visualized using a Wagner plot. Relationship of molecular structure with relaxation energies among tautomers was discussed.
Keywords:
core hole;
cytosine tautomers;
double core;
spectroscopy
Journal Title: Journal of Electron Spectroscopy and Related Phenomena
Year Published: 2018
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Journal Title: Journal of Electron Spectroscopy and Related Phenomena
Year Published: 2018
Link to full text (if available)
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recommendations!