Projects per year
Personal profile
Research interests
Research Group Webpage
We tackle challenges based around organic molecular structure and reaction mechanism, principally using NMR spectroscopy - the most information-rich analytical technique available to chemists. Our interests are extremely diverse, ranging from accurate internuclear-distance measurements in solution and developing software-tools for molecular structure elucidation, through experimental investigations of molecular dynamics in solution, to the structure and properties of novel ionic liquid materials - most recently surfactant-based systems with some remarkable physical behaviours.
Prof. Butts is a supervisor in the EPSRC Centre for Doctoral Training in Chemical Synthesis
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Research output
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3× Axial vs 3× Equatorial: The ΔGGA Value Is a Robust Computational Measure of Substituent Steric Effects
McFord, A. W., Butts, C. P., Fey, N. & Alder, R. W., 17 Aug 2021, (E-pub ahead of print) In: Journal of the American Chemical Society. 6 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
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A community-powered search of machine learning strategy space to find NMR property prediction models
Bratholm, L. A., Gerrard, W., Anderson, B., Bai, S., Choi, S., Dang, L., Hanchar, P., Howard, A., Kim, S., Kolter, Z., Kondor, R., Kornbluth, M., Lee, Y., Lee, Y., Mailoa, J. P., Nguyen, T. T., Popovic, M., Rakocevic, G., Reade, W., Song, W. & 7 others, , 20 Jul 2021, In: PLoS ONE. 16, 7, e0253612.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile1 Downloads (Pure) -
Prediction of 15N chemical shifts by machine learning
Gerrard, W., Yiu, C. & Butts, C. P., 18 Aug 2021, (E-pub ahead of print) In: Magnetic Resonance in Chemistry. (2021), SPECIAL ISSUE RESEARCH ARTICLE, 6 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Datasets
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SelEXSIDE Pulse sequence
Butts, C. P. (Creator), University of Bristol, 6 May 2015
DOI: 10.5523/bris.xzopvpyrkkrk1fk1hx3e4x0k8, http://data.bris.ac.uk/data/dataset/xzopvpyrkkrk1fk1hx3e4x0k8
Dataset
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Baulamycin NMR FIDs
Zhong, S. (Creator) & Butts, C. P. (Creator), University of Bristol, 18 May 2017
DOI: 10.5523/bris.2nlg5j4you3r827t79fbkq3jgy, http://data.bris.ac.uk/data/dataset/2nlg5j4you3r827t79fbkq3jgy
Dataset