Semiempirical Calculation of Force Constants of Stretching Vibrations in Excited States of Retinal and Its Related Compounds
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概要
- 論文の詳細を見る
The excited states of m-elec:trons in hexaene, retinal, retinal Schiff-base or pro-tonated retinal Schiff-base arc considered by our LCAO-ASMO-SCF-Cl methods,under the assumption that the polyene chain of the molecule has all-trans form. Andas for each excited state, the total energy of the whole systern consisting of m-electrons, atomic cores and a-bonds is calculated as a function of the terminal bondlength, by fixing the other bond lengths at their equilibrium values. On this basis, therelation between force constant of stretching vibration and m-electron bond-order ineach excited state is semiempirically determined, according to such parametrizationfor the energy of<v-bonds that can give a good account of the force constants ofstretching vibrations used for the normal-coordinate analysis of retinal.
- 社団法人日本物理学会の論文
- 1985-12-15
著者
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Suzuki Hideo
Department of Information and Network Science, Chiba Institute of Technology
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ITO Etsuro
Department of Pediatrics, Hirosaki University School of Medicine
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Ito Etsuro
北海道大学 理研究
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Ito Etsuro
Advanced Research Center For Human Sciences Waseda University
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Ito E
Divisions Of Biological Sciences Hokkaido University
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Sugimoto Tohru
Biophysics Laboratory College Of Engineering Kanto Gakuin University
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Sugimoto Toyonari
Research Institute For Advanced Science And Technology Osaka Prefecture University
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Ito E
Division Of Innovative Research Creative Research Initiative "sousei" Hokkaido University:
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Ito E
Institute For Study Of The Earth's Interior Okayama University
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Sugimoto T
Toyota Motor Corporation
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Ito Etsuro
Department Of Pediatrics Hirosaki University Graduate School Of Medicine
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Suzuki Hideo
Department Of Cardiology Surugadai Nihon University Hospital
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Suzuki Hideo
Department of Bioscience Research, Tsukuba Research Laboratory, Toagosei Co., Ltd.
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