吸着粒子間の間接的交換相互作用の理論--酵素特異性の電子的機構

概要

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Theory of indirect (via substrate) exchange interaction between adatoms on the substrate has been developed and applied to admolecules-enzyme system to clarify the mechanism of enzyme specificity. The second quantization formalism for nonorthogonal basis states has been developed. The indirect exchange interaction theory between two adatoms or admolecules has been presented. It has been shown that the interaction energy is ± J depending on the spin state of the system, where J is the effective exchange integral proportional to hd3, h being the adatom-substrate one-electron hopping integral, and d being the overlap integral.
奈良教育大学の論文