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Yang L, Reimers JR, Kobayashi R, et al. (2019) Competition between charge migration and charge transfer induced by nuclear motion following core ionization: Model systems and application to Li. The Journal of Chemical Physics. 151: 124108
Reimers JR, Ford MJ, Halder A, et al. (2016) Gold surfaces and nanoparticles are protected by Au(0)-thiyl species and are destroyed when Au(I)-thiolates form. Proceedings of the National Academy of Sciences of the United States of America
Reimers JR, Panduwinata D, Visser J, et al. (2016) From chaos to order: Chain-length dependence of the free energy of formation of meso-tetraalkylporphyrin self-assembled monolayer polymorphs Journal of Physical Chemistry C. 120: 1739-1748
Reimers JR, Panduwinata D, Visser J, et al. (2015) A priori calculations of the free energy of formation from solution of polymorphic self-assembled monolayers. Proceedings of the National Academy of Sciences of the United States of America
McKemmish LK, McKenzie RH, Hush NS, et al. (2015) Electron-vibration entanglement in the Born-Oppenheimer description of chemical reactions and spectroscopy. Physical Chemistry Chemical Physics : Pccp. 17: 24666-82
Reimers JR, McKemmish LK, McKenzie RH, et al. (2015) Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: the general importance of all three Born-Oppenheimer breakdown corrections. Physical Chemistry Chemical Physics : Pccp. 17: 24641-65
Reimers JR, McKemmish LK, McKenzie RH, et al. (2015) A unified diabatic description for electron transfer reactions, isomerization reactions, proton transfer reactions, and aromaticity. Physical Chemistry Chemical Physics : Pccp. 17: 24598-617
Reimers JR, McKemmish LK, McKenzie RH, et al. (2015) Bond angle variations in XH3 [X = N, P, As, Sb, Bi]: the critical role of Rydberg orbitals exposed using a diabatic state model. Physical Chemistry Chemical Physics : Pccp. 17: 24618-40
Ouyang R, Yan J, Jensen PS, et al. (2015) Intermixed adatom and surface-bound adsorbates in regular self-assembled monolayers of racemic 2-butanethiol on Au(111). Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 16: 928-32
Yan J, Ouyang R, Jensen PS, et al. (2014) Controlling the stereochemistry and regularity of butanethiol self-assembled monolayers on au(111). Journal of the American Chemical Society. 136: 17087-94