Relative energies among proton-shifted S2 isomers in the photosystem II revealed by DLPNO coupled cluster and hybrid DFT calculations. Proton transfer coupled spin transitions of the CaMn4Ox cluster in OEC of PSII
Relative energies among proton-shifted S2 isomers in the photosystem II revealed by DLPNO coupled cluster and hybrid DFT calculations. Proton transfer coupled spin transitions of the CaMn4Ox cluster in OEC of PSII
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DLPNO 耦合簇和混合 DFT 计算揭示了光系统 II 中质子位移 S2 异构体之间的相对能量。
DOI:
10.1016/j.cplett.2022.139357
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发表时间:
2022
影响因子:
2.8
通讯作者:
Yamaguchi Kizashi
中科院分区:
文献类型:
--
作者:
Miyagawa Koichi;Shoji Mitsuo;Isobe Hiroshi;Kawakami Takashi;Nakajima Takahito;Yamaguchi Kizashi
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影响因子:
2.9
作者:
V. Petrouleas;D. Koulougliotis;N. Ioannidis
通讯作者:
N. Ioannidis
DOI:
10.1063/1.4981521
发表时间:
2017-04
期刊:
The Journal of chemical physics
影响因子:
--
作者:
Masaaki Saitow;Ute Becker;Christoph Riplinger;Edward F. Valeev;F. Neese
通讯作者:
Masaaki Saitow;Ute Becker;Christoph Riplinger;Edward F. Valeev;F. Neese
影响因子:
64.8
作者:
Umena Y.;Kawakami K.;Shen J.-R.;Kamiya N.
通讯作者:
Kamiya N.
影响因子:
2.9
作者:
Boussac, A;Girerd, JJ;Rutherford, AW
通讯作者:
Rutherford, AW
影响因子:
15
作者:
Sanakis, Y;Ioannidis, N;Petrouleas, V
通讯作者:
Petrouleas, V