Skip to content

Research at St Andrews

Thermodynamics of 5-bromouracil tautomerisation from first-principles molecular dynamics simulations

Research output: Chapter in Book/Report/Conference proceedingChapter

Type

Related by author

  1. Modeling zwitterions in solution: 3-fluoro-γ-aminobutyric acid (3F-GABA)

    Cao, J., Bjornsson, R., Buehl, M., Thiel, W. & van Mourik, T., 2 Jan 2012, In: Chemistry - A European Journal. 18, 1, p. 184–195 12 p.

    Research output: Contribution to journalArticlepeer-review

  2. NMR spectroscopy: quantum-chemical calculations

    Buehl, M. & van Mourik, T., 2011, In: Wiley Interdisciplinary Reviews: Computational Molecular Science. 1, 4, p. 634-647 14 p.

    Research output: Contribution to journalReview articlepeer-review

  3. Unveiling the mechanism of N‐methylation of indole with dimethylcarbonate using either DABCO or DBU as catalyst

    Vendramini, P. H., Zeoly, L. A., Cormanich, R. A., Buehl, M., Eberlin, M. N. & Ferreira, B. R. V., 15 Feb 2021, In: Journal of Mass Spectrometry. 56, 3, e4707.

    Research output: Contribution to journalArticlepeer-review

  4. A quinone based single-molecule switch as building block for molecular electronics

    Früchtl, H. A. & van Mourik, T., 21 Jan 2021, In: Physical Chemistry Chemical Physics. 23, 3, p. 1811-1814

    Research output: Contribution to journalArticlepeer-review

  5. First experimental evidence for a bis-ethene chromium(I) complex forming from an activated ethene oligomerization catalyst

    Chabbra, S., Smith, D. M., Bell, N. L., Watson, A. J. B., Buehl, M., Cole-Hamilton, D. J. & Bode, B. E., 18 Dec 2020, In: Science Advances. 6, 51, 7 p., eabd7057.

    Research output: Contribution to journalArticlepeer-review

ID: 252912294

Top