文献
J-GLOBAL ID:201902273515496310
整理番号:19A2404022
PSIIのOECのkokサイクルにおける水の酸化のための14種の異なるS_2中間体のドメインに基づく局所対自然軌道CCSD(T)計算 S_2状態に対する1LS-2HSモデルへの再訪問【JST・京大機械翻訳】
Domain-based local pair natural orbital CCSD(T) calculations of fourteen different S2 intermediates for water oxidation in the Kok cycle of OEC of PSII. Re-visit to one LS-two HS model for the S2 state
著者 (11件):
Miyagawa K.
(Institute for Scientific and Industrial Research, Osaka University, Osaka 567-0047, Japan)
,
Isobe H.
(Research Institute for Interdisciplinary Science, Okayama University, Okayama 700-8530, Japan)
,
Kawakami T.
(Graduate School of Science, Osaka University, Toyonaka 560-0043, Japan)
,
Kawakami T.
(RIKEN Center for Computational Science, Kobe, Hyogo 650-0047, Japan)
,
Shoji M.
(Center of Computational Sciences, Tsukuba University, Tsukuba, Ibaraki 305-8577, Japan)
,
Yamanaka S.
(Graduate School of Science, Osaka University, Toyonaka 560-0043, Japan)
,
Okumura M.
(Graduate School of Science, Osaka University, Toyonaka 560-0043, Japan)
,
Nakajima T.
(Graduate School of Science, Osaka University, Toyonaka 560-0043, Japan)
,
Yamaguchi K.
(Institute for Scientific and Industrial Research, Osaka University, Osaka 567-0047, Japan)
,
Yamaguchi K.
(RIKEN Center for Computational Science, Kobe, Hyogo 650-0047, Japan)
,
Yamaguchi K.
(Insitute for Nanoscience Design, Toyonaka, Osaka University, Toyonaka 560-0043, Japan)
資料名:
Chemical Physics Letters
(Chemical Physics Letters)
巻:
734
ページ:
Null
発行年:
2019年
JST資料番号:
B0824A
ISSN:
0009-2614
資料種別:
逐次刊行物 (A)
記事区分:
原著論文
発行国:
オランダ (NLD)
言語:
英語 (EN)