Showing results 1 to 20 of 32
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Issue Date | Title | Author(s) |
2010-05-26 | Accurate and computationally efficient third-nearest-neighbor tight-binding model for large graphene fragments | Wohlthat, S; Reimers, JR; Hush, NS |
2006-12-01 | Adsorption of benzene on copper, silver, and gold surfaces | Bilić, A; Reimers, JR; Hush, NS; Hoft, RC; Ford, MJ |
2011-01-20 | Atomic-resolution kinked structure of an alkylporphyrin on highly ordered pyrolytic graphite | Chin, Y; Panduwinata, D; Sintic, M; Sum, TJ; Hush, NS; Crossley, MJ; Reimers, JR |
2015-07-02 | Bond angle variations in XH<inf>3</inf> [X = N, P, As, Sb, Bi]: The critical role of Rydberg orbitals exposed using a diabatic state model | Reimers, JR; McKemmish, LK; McKenzie, RH; Hush, NS |
2011-09-28 | Chain-branching control of the atomic structure of alkanethiol-based gold-sulfur interfaces | Wang, Y; Chi, Q; Zhang, J; Hush, NS; Reimers, JR; Ulstrup, J |
2019-09-28 | Competition 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 |
2017-01-11 | Competition of van der Waals and chemical forces on gold-sulfur surfaces and nanoparticles | Reimers, JR; Ford, MJ; Marcuccio, SM; Ulstrup, J; Hush, NS |
2017-01-01 | Competition of van der waals and chemical forces on gold–sulfur surfaces and nanoparticles | Reimers, JR; Ford, MJ; Marcuccio, SM; Ulstrup, J; Hush, NS |
2014-12-10 | Controlling 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 |
2017-09-01 | The critical role of the transition-state cusp diameter in understanding adiabatic and non-adiabatic electron transfer | Reimers, JR; Hush, NS |
2017-05-19 | Diabatic models with transferrable parameters for generalized chemical reactions | Reimers, JR; McKemmish, LK; McKenzie, RH; Hush, NS |
2015-07-03 | Electron-vibration entanglement in the Born-Oppenheimer description of chemical reactions and spectroscopy | McKemmish, LK; McKenzie, RH; Hush, NS; Reimers, JR |
2016-06-27 | En ny historie om guld og svovl | Reimers, JR; Chi, Q; Ford, MJ; Halder, A; Hush, NS; Ulstrup, J; Zhang, J |
2017-01-01 | Erratum: 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 |
2012-06-05 | Frequency-based quantum computers from a Chemist's perspective | McKemmish, LK; Kedziora, DJ; White, GR; Hush, NS; Reimers, JR |
2016-01-28 | From chaos to order: Chain-length dependence of the free energy of formation of meso-tetraalkylporphyrin self-assembled monolayer polymorphs | Reimers, 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 |
2011-06-02 | Gold 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 |
2016-03-15 | Gold surfaces and nanoparticles are protected by Au(0)-thiyl species and are destroyed when Au(I)-thiolates form | Reimers, JR; Ford, MJ; Halder, A; Ulstrup, J; Hush, NS |
2011-12-01 | Interference-induced electron- and hole-conduction asymmetry | Wohlthat, S; Solomon, GC; Hush, NS; Reimers, JR |
2015-04-07 | Intermixed 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 |