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Takayanagi Lab.

Publications

2020-

[193] "Spin-inversion mechanisms in O2 binding to a model heme complex revisited by density function theory calculations", K. Saito, Y. Watabe, T. Fujihara, T. Takayanagi, J. Hasegawa, J. Comput. Chem., 41,1130-1138 (2020).

[194] "化学ダイナミクスにおける核量子効果:経路積分分子動力学法とリングポリマー分子動力学法の応用",高柳敏幸, 宮崎貴暉, 分子シミュレーション学会誌 アンサンブル,22, 8-13 (2020).

[195] "Reduced-dimentionality quantum dynamics study of the 3Fe(CO)4 + H21FeH2(CO)4 spin-inversion reaction ", T.Takayanagi, Y.Watabe, T. Miyazaki, Molecules, 25(4), 882 (2020).

[196] "Positron-electron correlation-polarization potential model for positron binding in polyatomic molecules", Y. Sugiura, H. Suzuki, T. Otomo, T. Miyazaki, T. Takayanagi, M. Tachikawa, J. Comput. Chem., 41,1576-1585 (2020).

[197] "Theoretical calculation of positron annihilation spectrum using positron-electron correlation-polarization potential ",Y. Sugiura, T. Takayanagi, M. Tachikawa, Int. J. Quant. Chem., in press.