π-Electronic Structures of the Base Pairs of DNA

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概要

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• π-electronic structures of the base pairs of DNA are determined in the framework of Frenkel-Davydov's exciton theory including double excitations. The π-electron densities in the ground and the excited states and he excitation energies and oscillator strengths are discussed in comparison with those of the lowest excited states and the slight blue shift in A-U pair and somewhat appreciable blue shift in G-C pair are found. Further, the interaction energies between pairing bases are estimated in terms of generalized charge densities of component bases are estimated in terms of generalized charge densities of component bases which were calculated using the best available π-electron molecular orbitals obtained in our previous work. The π-electronic stabilization energy of base pairs mainly results from the interaction between the permanent charges in the atomic sites of the bases and it is found that G-C pair is more stable than A-U pair.

• 社団法人日本物理学会の論文
• 1969-09-05

著者

• MIYATA Takashi

  Department of Iron and Steel Engineering, Nagoya University

• YOMOSA Sigeo

  Department of Physics, Nagoya University

• Yomosa Sigeo

  Department Of Physics Nagoya University

• Yomosa Sigeo

  Department Of Physics Faculty Of Science Nagoya University

• Miyata Takashi

  Department Of Physics Waseda University:(present Address) Department Of Physics Nagoya University

• Miyata Takashi

  Department Of Biophysics Faculty Of Science Kyoto University

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