Applied Biomathematics for Nucleic Acid Chemistry and Protein Folding: Quantitative Simulations

A Theoretical Investigation on 10-12 Potential of Hydrogen-Hydrogen Covalent Bond

Author(s): Sencer Taneri * .

Pp: 65-73 (9)

DOI: 10.2174/9789815179965123010009

* (Excluding Mailing and Handling)


In Appendix, we have an analytical investigation of the well-known 10-12 potential of hydrogen-hydrogen covalent bond. In this research, we will make an elaboration of the well-known 6-12 Lennard-Jones potential in case of this type of bond. Though the results are illustrated in many text books and literature, an analytical analysis of these potentials is missing almost everywhere. The power laws are valid for small radial distances, which are calculated to some extent. The internuclear separation as well as the binding energy of the hydrogen molecule are evaluated with success. 

Keywords: Electronic structure and bonding characteristics, Materials, Molecular hydrogen and isotopes, Solid state.

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