{"id":253,"date":"2022-07-05T10:26:53","date_gmt":"2022-07-05T17:26:53","guid":{"rendered":"https:\/\/wordpress.viu.ca\/wiebegroup\/?page_id=253"},"modified":"2024-05-23T10:21:56","modified_gmt":"2024-05-23T17:21:56","slug":"dr-heather-wiebe-publications","status":"publish","type":"page","link":"https:\/\/wordpress.viu.ca\/wiebegroup\/dr-heather-wiebe-publications\/","title":{"rendered":"Publications"},"content":{"rendered":"\n

Joulaei-Zonouz, S., Wiebe, H., Pr\u00fcfert, C., Loock, H.-P. “Twisted-internal charge transfer (TICT) state mechanisms may be less common than expected” New Journal of Chemistry<\/em>, 48<\/strong>, 4077-4087 (2024) DOI https:\/\/doi.org\/10.1039\/D4NJ00047A<\/a> <\/p>\n\n\n\n

Borden, S. A, Mercer, S. R., Saatchi, A., Wong, E., Stefan, C. M., Wiebe, H., Hore, D. K., Wallace, B. and Gill, C. G. \u201cCarfentanil structural analogs found in street drugs by paper spray mass spectrometry and their characterization by high-resolution mass spectrometry\u201d Drug Testing and Analysis<\/em>, 15<\/strong>, 484-494 (2023)\u00a0https:\/\/doi.org\/10.1002\/dta.3431<\/a><\/p>\n\n\n\n

van de Bund, S., Wiebe, H. and Ackland, G. J. \u201cIsotope quantum effects in the metallization transition to liquid hydrogen\u201d Physical Review Letters<\/em> 126<\/strong>, 225701 (2021) https:\/\/doi.org\/10.1103\/PhysRevLett.126.225701<\/a><\/p>\n\n\n\n

Wiebe, H., Underwood, T. and Ackland, G. J. \u201cPhase behaviour of the quantum Lennard-Jones solid\u201d Journal of Chemical Physics<\/em> 153<\/strong>, 074502 (2020) https:\/\/doi.org\/10.1063\/5.0017973<\/a><\/p>\n\n\n\n

Zong, H., Wiebe, H. and Ackland, G. J. \u201cUnderstanding high pressure hydrogen with a hierarchical machine-learned potential\u201d Nature Communications <\/em>11<\/strong>, 5014 (2020)  https:\/\/doi.org\/10.1038\/s41467-020-18788-9<\/a><\/p>\n\n\n\n

Spooner, J., Wiebe, H., Louwerse, M., Reader, B. and Weinberg, N. \u201cTheoretical analysis of high pressure effects on conformational equilibria.\u201d Canadian Journal of Chemistry<\/em> 96<\/strong>, 178-189 (2018). https:\/\/doi.org\/10.1139\/cjc-2017-0411<\/a><\/p>\n\n\n\n

Wiebe, H., Louwerse, M. and Weinberg, N. \u201cTheoretical volume profiles for conformational changes: Application to internal rotation of benzene ring in 1,12-dimethoxy-[12]-paracyclophane.\u201d Journal of Chemical Physics <\/em>146<\/strong>, 104107 (2017). https:\/\/doi.org\/10.1063\/1.4977732<\/a><\/p>\n\n\n\n

Wiebe, H., Louwersheimer, J. and Weinberg, N. \u201cMolecular dynamic studies of the solubility of sodium chloride: Fast calculations using seed crystalline cluster probe.\u201d Molecular Physics <\/em>113<\/strong>, 1-6 (2015). https:\/\/doi.org\/10.1080\/00268976.2015.1011247<\/a><\/p>\n\n\n\n

Wiebe, H. and Weinberg, N. \u201cTheoretical volume profiles as a tool for probing transition states: folding kinetics.\u201d Journal of Chemical Physics <\/em>140<\/strong>, 124105 (2014)  https:\/\/doi.org\/10.1063\/1.4868549<\/a><\/p>\n\n\n\n

Wiebe, H., Prachnau, M. and Weinberg, N. \u201cHydrogen transfer reactions in viscous media: potential and free energy surfaces in solvent-solute coordinates and their kinetic implications.\u201d Canadian Journal of Chemistry<\/em> 91<\/strong>, 787-794 (2013). https:\/\/doi.org\/10.1139\/cjc-2012-0554<\/a><\/p>\n\n\n\n

Wiebe, H., Spooner, J., Boon, N., Deglint, E., Edwards, E., Dance, P. and Weinberg, N. \u201cCalculation of molecular volumes and volumes of activation via molecular dynamics simulations.\u201d<\/sub>  Journal of Physical Chemistry C <\/em>116<\/strong>, 2240\u20132245 (2012). https:\/\/doi.org\/10.1021\/jp209088u<\/a><\/p>\n\n\n\n

Spooner, J., Wiebe, H., Boon, N., Deglint, E., Edwards, E., Yanciw, B., Patton, B., Thiele, L., Dance P. and N. Weinberg. \u201cMolecular dynamics calculation of molecular volumes and volumes of activation.\u201d Physical Chemistry Chemical Physics<\/em> 14<\/strong>, 2264-2277 (2012).       https:\/\/doi.org\/10.1039\/C2CP22949H<\/a><\/p>\n\n\n\n

Deglint, E., Wiebe, H., Edwards, E., Boon, N., Dance, P. and Weinberg, N. \u201cMolecular dynamics calculation of activation volumes.\u201d Physical Chemistry Chemical Physics<\/em> 13<\/strong>, 438-440 (2011). https:\/\/doi.org\/10.1039\/C0CP01570A<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"

Joulaei-Zonouz, S., Wiebe, H., Pr\u00fcfert, 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,…<\/p>\n","protected":false},"author":4571,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"_crdt_document":"","footnotes":""},"class_list":["post-253","page","type-page","status-publish","hentry","empty-entry-meta"],"_links":{"self":[{"href":"https:\/\/wordpress.viu.ca\/wiebegroup\/wp-json\/wp\/v2\/pages\/253","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/wordpress.viu.ca\/wiebegroup\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/wordpress.viu.ca\/wiebegroup\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/wordpress.viu.ca\/wiebegroup\/wp-json\/wp\/v2\/users\/4571"}],"replies":[{"embeddable":true,"href":"https:\/\/wordpress.viu.ca\/wiebegroup\/wp-json\/wp\/v2\/comments?post=253"}],"version-history":[{"count":6,"href":"https:\/\/wordpress.viu.ca\/wiebegroup\/wp-json\/wp\/v2\/pages\/253\/revisions"}],"predecessor-version":[{"id":408,"href":"https:\/\/wordpress.viu.ca\/wiebegroup\/wp-json\/wp\/v2\/pages\/253\/revisions\/408"}],"wp:attachment":[{"href":"https:\/\/wordpress.viu.ca\/wiebegroup\/wp-json\/wp\/v2\/media?parent=253"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}