Quantum Chemistry of the Color Tuning Mechanism in the Photobiological System

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📑 蛋白質内において色素の電子状態が空間的に局在する場合には，量子力学を適用する領域を限定的に設定し，それ以外の領域を古典力学と静電理論に基づく molecular mechanics(MM)法を用いることで，極端に精度を落とさずに蛋白質の量子化学計算ができる場合がある。 https://t.co/UJRXBBhMfy

02 Dec 2017

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