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1 . Academic Journal
Soft corrugated channel with synergistic exclusive discrimination gating for CO2 recognition in gas mixture
저자
by
Yifan Gu
;
Jia-Jia Zheng
;
Ken-ichi Otake
;
Shigeyoshi Sakaki
;
Hirotaka Ashitani
, et al.
소스
Nature Communications, Vol 14, Iss 1, Pp 1-12 (2023)
Open Access (DOAJ)
Web of Science
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7 . Academic Journal
Theoretical Study of NO Dissociative Adsorption onto 3d Metal Particles M55 (M = Fe, Co, Ni, and Cu): Relation between the Reactivity and Position of the Metal Element in the Periodic Table
저자
by
Nozomi Takagi
;
Masahiro Ehara
;
Shigeyoshi Sakaki
.
소스
ACS Omega, Vol 6, Iss 7, Pp 4888-4898 (2021)
Open Access (DOAJ)
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5 . Academic Journal
Carbon dioxide capture and efficient fixation in a dynamic porous coordination polymer
저자
by
Pengyan Wu
;
Yang Li
;
Jia-Jia Zheng
;
Nobuhiko Hosono
;
Ken-ichi Otake
, et al.
소스
Nature Communications, Vol 10, Iss 1, Pp 1-8 (2019)
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7 . Academic Journal
Catalysis of Cu Cluster for NO Reduction by CO: Theoretical Insight into the Reaction Mechanism
저자
by
Nozomi Takagi
;
Kazuya Ishimura
;
Hiroki Miura
;
Tetsuya Shishido
;
Ryoichi Fukuda
, et al.
소스
ACS Omega, Vol 4, Iss 2, Pp 2596-2609 (2019)
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7 . Academic Journal
Evaluation of OH···O Type Hydrogen Bond Energy in Native Cellulose by Quantum Chemical Calculations
저자
by
Shigeyoshi SAKAKI
;
Takashi HOSOYA
.
소스
材料 / Journal of the Society of Materials Science, Japan. 2020, 69(6):459
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4 . Academic Journal
Developments of Interorbital–band Interaction Analysis and Embedded Cluster Model Incorporating Periodic Electrostatic Potential for Supported Metal Catalysts / 担持金属触媒のための軌道–バンド間相互作用解析と埋め込みクラスターモデルの開発
저자
by
Masafuyu MATSUI
;
Shigeyoshi SAKAKI
;
松井 正冬
;
榊 茂好
.
소스
Journal of Computer Chemistry, Japan. 2019, 18(1):49
Open Access (JSTAGE)
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6 . Academic Journal
Electronic Structure and Stability of Binary Metal Cluster with Core-Shell Structure: Theoretical Approach / コアシェル型複合金属クラスターの安定性と電子状態:理論的アプローチ
저자
by
Masahiro EHARA
;
Nozomi TAKAGI
;
Ryoichi FUKUDA
;
Shigeyoshi SAKAKI
;
榊 茂好
, et al.
소스
Journal of Computer Chemistry, Japan. 2019, 18(1):38
Open Access (JSTAGE)
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7 . Academic Journal
Proton transfers in the Strecker reaction revealed by DFT calculations
저자
by
Shinichi Yamabe
;
Guixiang Zeng
;
Wei Guan
;
Shigeyoshi Sakaki
.
소스
Beilstein Journal of Organic Chemistry, Vol 10, Iss 1, Pp 1765-1774 (2014)
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6 . Academic Journal
Substrate dependent reaction channels of the Wolff–Kishner reduction reaction: A theoretical study
저자
by
Shinichi Yamabe
;
Guixiang Zeng
;
Wei Guan
;
Shigeyoshi Sakaki
.
소스
Beilstein Journal of Organic Chemistry, Vol 10, Iss 1, Pp 259-270 (2014)
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6 . Academic Journal
An aniline dication-like transition state in the Bamberger rearrangement
저자
by
Shinichi Yamabe
;
Guixiang Zeng
;
Wei Guan
;
Shigeyoshi Sakaki
.
소스
Beilstein Journal of Organic Chemistry, Vol 9, Iss 1, Pp 1073-1082 (2013)
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