LAB LOGA page on LabLog, a review site (not the lab's official page)
Reaction and Property Theory Lab
Machine-translated · View original
The lab uses quantum chemical calculations to uncover how catalysts and enzymes drive reactions.
AboutAbout the lab
Exploring the world of molecules with computation.
The Reaction and Property Theory Lab (Shiota Lab) investigates the electronic structure of molecules and the mechanisms of chemical reactions through theoretical quantum chemical calculations, without conducting experiments.
The lab believes that reactions driven by enzymes and catalysts rely on a 'mechanism' based on the movement of electrons and on spin states, and aims to uncover it and use it to design new reactions.
The lab regards calculation not as a machine that produces answers but as a tool for thinking. Members carry out research by putting into words how to choose models and what to investigate next, and organizing these points together.
Key terms
- Quantum chemistry
- A field that uses calculations based on quantum mechanics to study the electronic states of molecules and chemical reactions
- Transition metal complex
- A compound in which molecules or ions are bound to a transition metal atom. In this lab, these compounds are studied as the agents that carry out catalytic reactions
- Density functional theory (DFT)
- One of the quantum chemical calculation methods for computing the electronic states of molecules. It is also called DFT, after the initials of its English name
NewsLab news
View More ↗ResearchResearch themes
Based on the principles of quantum mechanics, the lab uses theoretical calculations to study chemical transformations catalyzed by transition metal complexes. It aims to uncover the 'mechanisms' of catalysts and enzymes and apply them to design new reactions.
*Illustrative imageMechanism of Methane Oxidation
Converting methane into liquid methanol is industrially important, but industrial conversion consumes large amounts of energy. Enzymes in nature are known to carry out this reaction under physiological conditions, and the lab uses theoretical calculations to study how methane is activated in gas-phase iron oxide ions, zeolites, and enzymes.
*Illustrative imageMechanism of Nitrogen Oxide Reduction
Reactions that reduce nitric oxide and nitrite are involved in denitrification in the nitrogen cycle and in exhaust gas purification, but many aspects of their detailed reaction mechanisms remain unresolved. Focusing on reactions with copper complexes, the lab uses density functional theory calculations to study how these reactions proceed.
MembersFaculty
The members of the Reaction and Property Theory Lab are faculty members, postdoctoral researchers, and master's and undergraduate students.As of 2026
- Associate ProfessorYoshihito Shiota
VoicesStudent voices
Ratings and reviews reflect the experiences of individual current or former students, not the lab's official views. Whether a lab has reviews, or how many, says nothing about the lab itself.
Students who take part in an interview may receive a thank-you gift worth ¥1,000, regardless of what they say.
Student ratings (0 students)
--
--
--
--
--
--
Student voices answer questions like these
- What's great about this lab?
- What did you learn after joining?
- What's the vibe, and what is the professor like?
- Who is this lab for?
- Where do graduates go?
Your experience can help younger students choose their lab. Your name won't be shown.
Write a lab reviewAnonymous · Your draft is saved if you stopRelatedLabs similar to Reaction and Property Theory Lab
Nano-Interface Physical Properties LabInstitute for Materials Chemistry and Engineering, Division of Fundamental Materials ChemistryCooperative phenomena at heterogeneous nano-interfaces of me…
Functional Molecular Chemistry LabInstitute for Materials Chemistry and Engineering, Division of Fundamental Materials ChemistryCreation of highly active and highly selective transition me…
Molecular Materials Chemistry LabInstitute for Materials Chemistry and Engineering, Division of Fundamental Materials ChemistryDevelopment of photofunctional materials whose magnetic, con…
Bioorganic Chemistry LabInstitute for Materials Chemistry and Engineering, Division of Fundamental Materials ChemistryDesign and synthesis of bioactive small molecules, such as c…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: “Comparison of classical vs murburn enzyme mechanism” Annvinod / CC BY-SA 4.0 (cropped)
- Mechanism of Methane Oxidation: “Combustion methane intl” Original author was Christophe Dang Ngoc Chan (cdang) / CC BY-SA 3.0 (cropped)
- Mechanism of Nitrogen Oxide Reduction: “Catalytic Converter Interior” Cyrogigabyte / CC0 (cropped)
- Related lab (Nano-Interface Physical Properties Lab): “Nanočástice Au biosenzory. Změna optických vlastností nanočástic zlata v závislosti na velikosti částice” ZuzanaBrabcova / CC BY-SA 4.0 (cropped)
- Related lab (Functional Molecular Chemistry Lab): “C-H functionalization activation version 2” Alsosaid1987 / CC0 (cropped)
- Related lab (Molecular Materials Chemistry Lab): “Scandium-triflate-hydrate-xtal-293K-Sc-coordination-3D-balls” Ben Mills / Public domain (cropped)
- Related lab (Bioorganic Chemistry Lab): “Triptycene-3D-spacefill” Jynto (talk) / CC0 (cropped)
About LabLog
LabLog is a lab review app for students only. Student members at each university interview students in labs and publish what they say. Student voices can only be read by students who sign up with a university email address. Operated by bestiee Inc.
Learn more about LabLog ↗Search engines and AI may reference the basic lab info and rating summaries on this page and the description of LabLog. Student voices are for student members only. Automated collection by programs (scraping, or input to or training of AI) is prohibited under Article 8 of the Terms of Service. If you need data for research or analysis, please contact us.