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Issue DateTitleAuthor(s)
2010-05-26Accurate and computationally efficient third-nearest-neighbor tight-binding model for large graphene fragmentsWohlthat, S; Reimers, JR; Hush, NS
2006-12-01Adsorption of benzene on copper, silver, and gold surfacesBilić, A; Reimers, JR; Hush, NS; Hoft, RC; Ford, MJ
2011-01-20Atomic-resolution kinked structure of an alkylporphyrin on highly ordered pyrolytic graphiteChin, Y; Panduwinata, D; Sintic, M; Sum, TJ; Hush, NS; Crossley, MJ; Reimers, JR
2015-07-02Bond angle variations in XH<inf>3</inf> [X = N, P, As, Sb, Bi]: The critical role of Rydberg orbitals exposed using a diabatic state modelReimers, JR; McKemmish, LK; McKenzie, RH; Hush, NS
2011-09-28Chain-branching control of the atomic structure of alkanethiol-based gold-sulfur interfacesWang, Y; Chi, Q; Zhang, J; Hush, NS; Reimers, JR; Ulstrup, J
2019-09-28Competition between charge migration and charge transfer induced by nuclear motion following core ionization: Model systems and application to Li<inf>2</inf><sup>+</sup>Yang, L; Reimers, JR; Kobayashi, R; Hush, NS
2017-01-11Competition of van der Waals and chemical forces on gold-sulfur surfaces and nanoparticlesReimers, JR; Ford, MJ; Marcuccio, SM; Ulstrup, J; Hush, NS
2017-01-01Competition of van der waals and chemical forces on gold–sulfur surfaces and nanoparticlesReimers, JR; Ford, MJ; Marcuccio, SM; Ulstrup, J; Hush, NS
2014-12-10Controlling the stereochemistry and regularity of butanethiol self-assembled monolayers on Au(111)Yan, J; Ouyang, R; Jensen, PS; Ascic, E; Tanner, D; Mao, B; Zhang, J; Tang, C; Hush, NS; Ulstrup, J; Reimers, JR
2017-09-01The critical role of the transition-state cusp diameter in understanding adiabatic and non-adiabatic electron transferReimers, JR; Hush, NS
2017-05-19Diabatic models with transferrable parameters for generalized chemical reactionsReimers, JR; McKemmish, LK; McKenzie, RH; Hush, NS
2015-07-03Electron-vibration entanglement in the Born-Oppenheimer description of chemical reactions and spectroscopyMcKemmish, LK; McKenzie, RH; Hush, NS; Reimers, JR
2016-06-27En ny historie om guld og svovlReimers, JR; Chi, Q; Ford, MJ; Halder, A; Hush, NS; Ulstrup, J; Zhang, J
2017-01-01Erratum: Competition of van der Waals and chemical forces on gold-sulfur surfaces and nanoparticles (Nature Reviews Chemistry (2017) 1 (17) DOI: 10.1038/s41570-017-0017)Reimers, JR; Ford, MJ; Marcuccio, SM; Ulstrup, J; Hush, NS
2012-06-05Frequency-based quantum computers from a Chemist's perspectiveMcKemmish, LK; Kedziora, DJ; White, GR; Hush, NS; Reimers, JR
2016-01-28From chaos to order: Chain-length dependence of the free energy of formation of meso-tetraalkylporphyrin self-assembled monolayer polymorphsReimers, JR; Panduwinata, D; Visser, J; Chin, Y; Tang, C; Goerigk, L; Ford, MJ; Baker, M; Sum, TJ; Coenen, MJJ; Hendriksen, BLM; Elemans, JAAW; Hush, NS; Crossley, MJ
2011-06-02Gold mining by alkanethiol radicals: Vacancies and pits in the self-assembled monolayers of 1-propanethiol and 1-butanethiol on Au(111)Wang, Y; Chi, Q; Hush, NS; Reimers, JR; Zhang, J; Ulstrup, J
2016-03-15Gold surfaces and nanoparticles are protected by Au(0)-thiyl species and are destroyed when Au(I)-thiolates formReimers, JR; Ford, MJ; Halder, A; Ulstrup, J; Hush, NS
2011-12-01Interference-induced electron- and hole-conduction asymmetryWohlthat, S; Solomon, GC; Hush, NS; Reimers, JR
2015-04-07Intermixed adatom and surface-bound adsorbates in regular self-assembled monolayers of racemic 2-butanethiol on Au(111)Ouyang, R; Yan, J; Jensen, PS; Ascic, E; Gan, S; Tanner, D; Mao, B; Niu, L; Zhang, J; Tang, C; Hush, NS; Reimers, JR; Ulstrup, J
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