Joulaei-Zonouz, S., Wiebe, H., Prüfert, C., Loock, H.-P. “Twisted-internal charge transfer (TICT) state mechanisms may be less common than expected” New Journal of Chemistry, 48, 4077-4087 (2024) DOI https://doi.org/10.1039/D4NJ00047A
Borden, S. A, Mercer, S. R., Saatchi, A., Wong, E., Stefan, C. M., Wiebe, H., Hore, D. K., Wallace, B. and Gill, C. G. “Carfentanil structural analogs found in street drugs by paper spray mass spectrometry and their characterization by high-resolution mass spectrometry” Drug Testing and Analysis, 15, 484-494 (2023) https://doi.org/10.1002/dta.3431
van de Bund, S., Wiebe, H. and Ackland, G. J. “Isotope quantum effects in the metallization transition to liquid hydrogen” Physical Review Letters 126, 225701 (2021) https://doi.org/10.1103/PhysRevLett.126.225701
Wiebe, H., Underwood, T. and Ackland, G. J. “Phase behaviour of the quantum Lennard-Jones solid” Journal of Chemical Physics 153, 074502 (2020) https://doi.org/10.1063/5.0017973
Zong, H., Wiebe, H. and Ackland, G. J. “Understanding high pressure hydrogen with a hierarchical machine-learned potential” Nature Communications 11, 5014 (2020) https://doi.org/10.1038/s41467-020-18788-9
Spooner, J., Wiebe, H., Louwerse, M., Reader, B. and Weinberg, N. “Theoretical analysis of high pressure effects on conformational equilibria.” Canadian Journal of Chemistry 96, 178-189 (2018). https://doi.org/10.1139/cjc-2017-0411
Wiebe, H., Louwerse, M. and Weinberg, N. “Theoretical volume profiles for conformational changes: Application to internal rotation of benzene ring in 1,12-dimethoxy-[12]-paracyclophane.” Journal of Chemical Physics 146, 104107 (2017). https://doi.org/10.1063/1.4977732
Wiebe, H., Louwersheimer, J. and Weinberg, N. “Molecular dynamic studies of the solubility of sodium chloride: Fast calculations using seed crystalline cluster probe.” Molecular Physics 113, 1-6 (2015). https://doi.org/10.1080/00268976.2015.1011247
Wiebe, H. and Weinberg, N. “Theoretical volume profiles as a tool for probing transition states: folding kinetics.” Journal of Chemical Physics 140, 124105 (2014) https://doi.org/10.1063/1.4868549
Wiebe, H., Prachnau, M. and Weinberg, N. “Hydrogen transfer reactions in viscous media: potential and free energy surfaces in solvent-solute coordinates and their kinetic implications.” Canadian Journal of Chemistry 91, 787-794 (2013). https://doi.org/10.1139/cjc-2012-0554
Wiebe, H., Spooner, J., Boon, N., Deglint, E., Edwards, E., Dance, P. and Weinberg, N. “Calculation of molecular volumes and volumes of activation via molecular dynamics simulations.” Journal of Physical Chemistry C 116, 2240–2245 (2012). https://doi.org/10.1021/jp209088u
Spooner, J., Wiebe, H., Boon, N., Deglint, E., Edwards, E., Yanciw, B., Patton, B., Thiele, L., Dance P. and N. Weinberg. “Molecular dynamics calculation of molecular volumes and volumes of activation.” Physical Chemistry Chemical Physics 14, 2264-2277 (2012). https://doi.org/10.1039/C2CP22949H
Deglint, E., Wiebe, H., Edwards, E., Boon, N., Dance, P. and Weinberg, N. “Molecular dynamics calculation of activation volumes.” Physical Chemistry Chemical Physics 13, 438-440 (2011). https://doi.org/10.1039/C0CP01570A