Projects per year
Personal profile
Research interests
Computational studies of organometallic reaction systems using predominately Density Functional Theory (DFT). These include:
- C-H Activation
- Nucleophilic Boryls
- Cross-Coupling
- Latent Steric Parameters
Teaching interests
I currently lecture on the Y2 courses "Introduction to Computational Chemistry" and "Group Theory".
I am also involved in the computational labs for Y1 and Y2 students, and am Director of Undergraduate Studies for Year 1.
Finally, I organise and schedule the Chemistry Key Skills sessions we run throughout the academic year for Y1, Y2 and final year Chemistry students.
Education/Academic qualification
Chemistry, University of Bristol
1 Oct 2007 → 21 Jul 2011
External positions
Post-Doctoral Research Associate, Heriot-Watt University
26 Aug 2012 → 1 Aug 2015Post-Doctoral Research Associate, University of North Texas
17 Aug 2011 → 8 Aug 2012Fingerprint Dive into the research topics where Claire McMullin is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
- 38 Similar Profiles
Ruthenium
Chemical Compounds
Chemical activation
Chemical Compounds
Alkylation
Chemical Compounds
Catalysis
Chemical Compounds
Density functional theory
Chemical Compounds
Phosphines
Chemical Compounds
Oxazolidinones
Chemical Compounds
Esters
Chemical Compounds
Network
Recent external collaboration on country level. Dive into details by clicking on the dots.
Projects 2018 2021
- 1 Active
Nucleophilic alkaline earth boryls: from conception and theory to application
Hill, M., Cresswell, A. & McMullin, C.
Engineering and Physical Sciences Research Council
1/05/18 → 31/10/21
Project: Research council
Boron
Earth (planet)
Nucleophiles
Boron Compounds
Derivatives
Research Output 2016 2019
A computational study on the identity of the active catalyst structure for Ru(II) carboxylate assisted C–H activation in acetonitrile
McMullin, C., Rajabi, N. & Hammerton, J., 25 Jun 2019, In : Organic & Biomolecular Chemistry. 17, 27, p. 6678-6686 9 p.Research output: Contribution to journal › Article
Open Access
1
Citation
(Scopus)
13
Downloads
(Pure)
Azulenes with aryl substituents bearing pentafluorosulfanyl groups: synthesis, spectroscopic and halochromic properties
Webster, S. J., López-Alled, C. M., Liang, X., McMullin, C. L., Kociok-Köhn, G., Lyall, C. L., James, T. D., Wenk, J., Cameron, P. J. & Lewis, S. E., 1 Jan 2019, In : New Journal of Chemistry. 43, 2, p. 992-1000 9 p.Research output: Contribution to journal › Article
Open Access
File
Diborane heterolysis and P(v) reduction by Ph 3P=O coordination to magnesium
Hill, M., Pecharman, A-F., Mahon, M., McMullin, C. & Rajabi, N., 7 Aug 2019, In : Chemical communications (Cambridge, England). 55, 61, p. 9035 - 9038 4 p.Research output: Contribution to journal › Article
Open Access
Establishing a Fourth Core Strand of Chemistry: Computational
McMullin, C., 22 Aug 2019.Research output: Contribution to conference › Other
1
Citation
(Scopus)
Snapshots of magnesium-centred diborane heterolysis by an outer sphere SN2 process
Pecharman, A-F., Hill, M. S., McMullon, G., McMullin, C. & Mahon, M., 21 Jul 2019, In : Chemical Science. 10, 27, p. 6672-6682 11 p.Research output: Contribution to journal › Article
Open Access