Heitler-London Calculation on the Bonding of Oxygen to Hemoglobin. : III. Singlet States in the Case of O-O Axis Inclined to Heme Plane

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概要

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• The electronic structure of the heme-O_2 system is studied on the inclined arrangement in which the O-O axis is at 60° to the normal of the heme plane. The method of the calculation is the same as in parts I and II for the parallel arrangement. The results show that the lowest energy eigenvalue is almost equal to that of the ^1A_2 state of the parallel arrangement and that the eigenfunction of this lowests state is more complicated in the present inclined arrangement, i.e., it is composed mainly of the two basic configurations with almost equal weight, one is the triplet-triplet coupling, and the other the ginglet-singlet coupling, and the contribution from some charge transfer configurations is also found. The various interpretarions of the recent experimental data seem to be attributable to this complex feature of the of the binding state.

• 社団法人日本物理学会の論文
• 1976-09-15

著者

• Matsuoka Osamu

  Laboratory Of Applied Physics The University Of Electro-communications

• SENO Yasunobu

  Department of Physics, Faculty of Science, Nagoya University

• OTSUKA Jinya

  Department of Applied Biological Sience, Faculty of Science and Technology,Science University of Tok

• FUCHIKAMI Nobuko

  Department of physics, Faculty of Science, Tokyo Metropolitan University

• Otsuka Jinya

  Department Of Applied Biological Sience Faculty Of Science And Technology Science University Of Toky

• Otsuka Jinya

  Department Of Applied Biological Science Science University Of Tokyo

• Seno Yasunobu

  Department Of Physics Faculty Of Science Nagoya University

• Seno Yasunobu

  Department Of Physics Faculty Of Engineering Science Osaka University

• Fuchikami N

  Tokyo Metropolitan Univ. Tokyo

• Fuchikami Nobuko

  Department Of Physics Faculty Of Science Tokyo Metropolitan University

• MATSUOKA Osamu

  Laboratory of Applied Physics, The University of Electro-Communications

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• Heitler-London Calculation on the Bonding of Oxygen to Hemoglobin. : III. Singlet States in the Case of O-O Axis Inclined to Heme Plane
• Heitler-London Calculation on the Bonding of Oxygen to Hemoglobin. : II. Explanation of the Diamagnetism of Oxyhemoglobin for the Parallel Arrangement of O_2 to the Heme
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