Claire McMullin



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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 in both semesters for Y1 students, and the year long Y2 labs.

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, Quantum Engineering Technologies Lab, H. H. Wills Physics Laboratory and Department of Electrical & Electronic Engineering, University of Bristol, BS8 1FD, United Kingdom

1 Oct 200721 Jul 2011

External positions

Post-Doctoral Research Associate, Heriot-Watt University

26 Aug 20121 Aug 2015

Post-Doctoral Research Associate, University of North Texas

17 Aug 20118 Aug 2012

Fingerprint Fingerprint is based on mining the text of the person's scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

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Projects 2018 2021

Earth (planet)
Boron Compounds

Research Output 2016 2019

Open Access
17 Citations (Scopus)

Azulene–boronate esters: colorimetric indicators for fluoride in drinking water

Lopez-Alled, C. M., Sanchez Fernandez, A., Edler, K., Sedgwick, A., Bull, S., McMullin, C., Kociok-Kohn, G., James, T., Wenk, J. & Lewis, S., 4 Dec 2017, In : Chemical Communications. 53, 93, p. 12580-12583 4 p.

Research output: Contribution to journalArticle

Open Access
Developing countries
Potable water
Drinking Water
22 Citations (Scopus)

Easy access to nucleophilic boron through diborane to magnesium boryl metathesis

Pécharman, A. F., Colebatch, A. L., Hill, M. S., McMullin, C. L., Mahon, M. F. & Weetman, C., 7 Apr 2017, In : Nature Communications. 8, p. 1-7 7 p., 15022.

Research output: Contribution to journalArticle

Open Access
8 Citations (Scopus)

Large, weakly basic bis(carboranyl)phosphines: an experimental and computational study

Riley, L. E., Krämer, T., McMullin, C. L., Ellis, D., Rosair, G. M., Sivaev, I. B. & Welch, A. J., 28 Apr 2017, In : Dalton Transactions. 46, 16, p. 5218-5228 11 p.

Research output: Contribution to journalArticle

Discrete Fourier transforms
Ion exchange