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理論化学研究室
Showing the original Japanese · View translation
第一原理に基づく計算で、分子や化学反応を明らかにする理論化学の研究室。
AboutAbout the lab
分子の世界を、計算で理論的に解く。
理論化学研究室は、
シュレーディンガー方
溶液中の
研究室の
Key terms
- 第一原理
- シュレーディンガー方
程式のような 基礎的な 原理。 経験に 頼らず、 ここから 理論的に 現象を 解き明かす - 酸解離定数
（pKa） - 分子が
プロトンを 手放して 解離する 傾向を 定める 値 - 3D-RISM理論
- 液体の
積分方程式理論の 一つ。 無数に ある 水分子を 統計力学に 基づいて 扱える - 相対論効果
- ランタノイドなど
重い 原子を 含む分子の 計算で、 取り入れる 必要が ある 効果
NewsLab news
修了生の
論文が、 Quantum Science and Technology に 掲載 修士課程の
学生が、 第39回分子シミュレーション討論会で 学生優秀発表賞を 受賞 修士課程の
学生が、 CSJ九州支部・KCS釜山支部の Joint Seminar で Best Poster Presentation賞を 受賞 渡邉宙志准教授らの
論文が、 Quantum Science and Technology に 掲載
ResearchResearch themes
この
*Illustrative image溶液中の分子のpKa予測
水溶液中の
*Illustrative image糖鎖を見分けるタンパク質の仕組み
糖質結合
*Illustrative image混合溶媒中のプロトン移動反応
アミノ酸の
*Illustrative image新しい相対論的分子軌道法
ランタノイドなど
MembersFaculty
理論化学研究室の
- Professor中野 晴之
- Associate Professor渡邉 宙志
- Lecturer渡邉 祥弘
- Assistant Professor鈴木 聡
- Assistant Professor川島 恭平
- Assistant Professor楊 晨
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Write a lab reviewAnonymous · Your draft is saved if you stopRelatedLabs similar to 理論化学研究室
分散系物理化学研究室理学部 化学科ゲルは
生体触媒化学研究室理学部 化学科自然界に
構造有機化学研究室理学部 化学科芳香族から
動的生命化学研究室理学部 化学科本研究室では、The information on this page is compiled by the LabLog team from the lab's public information and interviews. For corrections or removal requests, please contact LabLog, not the lab.
Report an errorAbout the images
The top and research theme images are illustrative and were not taken at the lab. They are cropped from Wikimedia Commons images. Cropped CC BY-SA images are provided under the same CC BY-SA license as the original (version shown on each line).
- Top image: “H2O Kalottenmodell und Stäbchenmodell 8127” Bin im Garten / CC BY-SA 3.0 (cropped)
- 溶液中の
分子の pKa予測: “Carbon BuckyBalls in a Solution of Liquid Ammonia ( )” UCL Mathematical & Physical Sciences from London, UK / CC BY 2.0 (cropped) - 糖鎖を
見分ける タンパク質の 仕組み: “Monomeric XEEL” Kwangkanont / CC BY-SA 4.0 (cropped) - 混合溶媒中の
プロトン移動反応: “Nile Red e a polaridade de solventes” GabrielaSCiarlo / CC BY-SA 4.0 (cropped) - 新しい
相対論的分子軌道法: “Carbon dioxide antibonding orbital” ChiralJon / CC BY 2.0 (cropped) - Related lab (分散系物理化学研究室): “Water beads (42106)” Rhododendrites / CC BY-SA 4.0 (cropped)
- Related lab (生体触媒化学研究室): “Plantes médicinales planche 1 - Medicinal plants, medical herbs, botanical illustrations, plate 1 - Public domain illustration from Larousse du XXème siècle 1932” EN NOIR & BLANC / CC0 (cropped)
- Related lab (構造有機化学研究室): “Supramolecular pyrene derivative nanorods laying on covalently bonded pyrene derivative aggregate” Bzitoo / CC BY-SA 4.0 (cropped)
- Related lab
(動的生命化学研究室): “Fluorescence from Fluorescent Proteins” Erin Rod / CC BY-SA 4.0 (cropped)
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