量子化学計算によるフェニルイソシアネート275 nm第一吸収帯の帰属

Overview of attention for article published in Journal of Computer Chemistry, Japan, March 2022

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J. Comp. Chem. Japan 「量子化学計算によるフェニルイソシアネート 275 nm 第一吸収帯の帰属」https://t.co/r2Fwa58J73 専門外のものを勉強のために読んだが、帰属の根拠が分からない。Oscillator strength が強くて、波長も近い excited state 4 じゃなくて 3 が選ばれてるのはなぜ?

22 Sep 2022

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