Orbital SCF energies in the double proton transfer of the adenine-thymine base pair
The double-minimum potential generated by the proton motion involved in the two hydrogen bonds of the adenine-thymine base pair can be accounted for through the orbital-energy spectrum. The results show that the greatest interaction between the molecular orbitals is found when the interprotonic dist...
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| Autores principales: | Marañon, J., Grinberg, H. |
|---|---|
| Formato: | JOUR |
| Materias: | |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_03926737_v2_n4_p1081_Maranon |
| Aporte de: |
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