Browsing byAuthorHush, NS

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Issue DateTitleAuthor(s)
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
2017-09-01The critical role of the transition-state cusp diameter in understanding adiabatic and non-adiabatic electron transferReimers, JR; Hush, NS
2017-09-01Relating transition-state spectroscopy to standard chemical spectroscopic processesReimers, JR; Hush, NS
2017-05-19Diabatic models with transferrable parameters for generalized chemical reactionsReimers, JR; McKemmish, LK; McKenzie, RH; Hush, NS
2017-02-01Sulfur ligand mediated electrochemistry of gold surfaces and nanoparticles: What, how, and whyChi, Q; Ford, MJ; Halder, A; Hush, NS; Reimers, JR; Ulstrup, J
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
2017-01-01Erratum: 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
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
2016-06-27En ny historie om guld og svovlReimers, JR; Chi, Q; Ford, MJ; Halder, A; Hush, NS; Ulstrup, J; Zhang, 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
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
2015-11-10A priori calculations of the free energy of formation from solution of polymorphic self-Assembled monolayersReimers, JR; Panduwinata, D; Visser, J; Chin, Y; Tang, C; Goerigk, L; Ford, MJ; Sintic, M; Sum, TJ; Coenen, MJJ; Hendriksen, BLM; Elemans, JAAW; Hush, NS; Crossley, MJ
2015-07-03Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: The general importance of all three Born-Oppenheimer breakdown correctionsReimers, JR; McKemmish, LK; McKenzie, RH; Hush, NS
2015-07-03A unified diabatic description for electron transfer reactions, isomerization reactions, proton transfer reactions, and aromaticityReimers, 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
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
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
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
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
2013-12-20A multiscale simulation technique for molecular electronics: Design of a directed self-assembled molecular n-bit shift register memory deviceLambropoulos, NA; Reimers, JR; Crossley, MJ; Hush, NS; Silverbrook, K