Keio University
1-14 items (total 14)

The ONIOM Method and Its Applications

Author
L.W. Chung, W.M.C. Sameera, R. Ramozzi, A.J. Page, M. Hatanaka, G.P. Petrova, T.V. Harris, X. Li, Z. Ke, F. Liu, H. Li, L. Ding, K. Morokuma
Publication Title
Magazine name Chemical Reviews Volume 115(Issue 12) Start Page 5678 - End Page 5796 (Publication Date)2015/04)
Authorship Category
Joint Work
Publication Category
Article, review, commentary, editorial, etc. (scientific journal)
Peer-review Status
With

データ数が少ない系における マテリアルズ・インフォマティクス技術の効率的活用を目指して

Author
畑中 美穂
Publication Title
Magazine name CICSJ Bulletin Volume 36(Issue 1) Start Page 2 - End Page 4 (Publication Date)2018/07)
Authorship Category
Single Work
Publication Category
Article, review, commentary, editorial, etc. (scientific journal)
Peer-review Status
With

人工力誘起反応法による化学反応経路の自動探索:有機合成化学への応用と展望

Author
前田理, 畑中美穂, 植松遼平, 武次徹也, 諸熊奎治
Publication Title
Volume 72(Issue 5) Start Page 567 - End Page 579 (Publication Date)2014/05)
Publication Category
Article, review, commentary, editorial, etc. (scientific journal)
Peer-review Status
With

化学におけるマテリアルズインフォマティクスの現状と課題

Author
畑中美穂
Publication Title
Volume 34(Issue 3) Start Page 351 - End Page 357 (Publication Date)2019/05)
Authorship Category
Single Work
Publication Category
Article, review, commentary, editorial, etc. (scientific journal)
Peer-review Status
Without

消光経路のデータベースと機械学習を用いるランタノイド発光材料の理解・分子設計

Author
畑中美穂
Publication Title
Start Page 22 - End Page 25 (Publication Date)2019/05)
Authorship Category
Single Work
Publication Category
Article, review, commentary, editorial, etc. (scientific journal)
Peer-review Status
Without
ISSN
1345-5818

マテリアルズインフォマティクスにおける最近の取り組みと課題

Author
畑中美穂
Publication Title
Volume 88(Issue 10) Start Page 679 - End Page 682 (Publication Date)2019/10)
Authorship Category
Single Work
Publication Category
Article, review, commentary, editorial, etc. (scientific journal)
Peer-review Status
Without

励起状態からの失活を理論化学で可視化する

Author
畑中美穂
Publication Title
Volume 73(Issue 10) Start Page 744 - End Page 745 (Publication Date)2020/09)
Authorship Category
Single Work
Publication Category
Article, review, commentary, editorial, etc. (scientific journal)
Peer-review Status
Without

ランタノイド発光材料の理論的研究─近似計算法の開発とその応用─

Author
畑中美穂
Publication Title
Volume 15(Issue 1) Start Page A0118 (Publication Date)2021/08)
Authorship Category
Single Work
Publication Category
Article, review, commentary, editorial, etc. (scientific journal)
Peer-review Status
Without

人工力誘起反応法を用いる触媒反応の理論的解析

Author
畑中美穂
Publication Title
Volume 25(Issue 1) Start Page 41 - End Page 45 (Publication Date)2023/01)
Authorship Category
Single Work
Publication Category
Article, review, commentary, editorial, etc. (scientific journal)
Peer-review Status
Without

特徴量のオープンデータベース化が加速する材料開発

Author
畑中美穂
Publication Title
Start Page 7 - End Page 10 (Publication Date)2024/09)
Authorship Category
Single Work
Publication Category
Article, review, commentary, editorial, etc. (scientific journal)
Peer-review Status
Without
ISSN
1345-5818

表紙解説-マテリアルズインフォマティクスー

Author
畑中美穂, 三宅楊一郎
Publication Title
Volume 34(Issue 3) Start Page 432 - End Page 433 (Publication Date)2019/05)
Authorship Category
Joint Work
Publication Category
Article, review, commentary, editorial, etc. (scientific journal)
Peer-review Status
Without

化学のDX推進とその先の未来

Author
畑中美穂
Publication Title
Volume 77(Issue 1) Start Page 18 - End Page 20 (Publication Date)2021/12)
Authorship Category
Single Work
Publication Category
Article, review, commentary, editorial, etc. (trade magazine, newspaper, online media)
Peer-review Status
Without

私の推し,「量子化学とランタノイド」に賭ける人生

Author
畑中美穂
Publication Title
Start Page 35 - End Page 37 (Publication Date)2024/06)
Authorship Category
Single Work
Publication Category
Article, review, commentary, editorial, etc. (trade magazine, newspaper, online media)
Peer-review Status
Without

Mechanistic origin of C- over O-Glycosylation in glycosyltransferase GgCGT: A QM/MM study

Publication Title
(Publication Date)2026/02)