Research output per year
Research output per year
Personal profile
Education/Academic qualification
Master of Chemistry, MChem Chemistry with Drug Discovery, University Of Strathclyde
4 Sept 2016 → 30 Jun 2021
Award Date: 30 Jun 2021
Keywords
- computational chemistry
- Density functional theory; molecular dynamics
Fingerprint
Dive into the research topics where Ross Urquhart is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
- 1 Similar Profiles
-
ANI neural network potentials for small molecule pKa prediction
Urquhart, R. J., van Teijlingen, A. & Tuttle, T., 29 Aug 2024, (E-pub ahead of print) In: Physical Chemistry Chemical Physics. 26, 36, p. 23934-23943 10 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile1 Downloads (Pure) -
Computational modeling of 4d and 5d transition metal catalysts
Urquhart, R. J. & Tuttle, T., 23 Feb 2023, (E-pub ahead of print) Reference Module in Chemistry, Molecular Sciences and Chemical Engineering. Amsterdam, 43 p.Research output: Chapter in Book/Report/Conference proceeding › Chapter
Datasets
-
Data for: "ANI neural network potentials for small molecule pKa prediction"
Urquhart, R. (Creator), van Teijlingen, A. (Creator) & Tuttle, T. (Supervisor), University of Strathclyde, 2 Sept 2024
DOI: 10.15129/8e3a4b33-c787-43d6-afbb-0c1a9a975af8
Dataset