Browsing by Author Reimers, JR

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Issue DateTitleAuthor(s)
26-May-2010Accurate and computationally efficient third-nearest-neighbor tight-binding model for large graphene fragmentsWohlthat, S; Reimers, JR; Hush, NS
1-Dec-2006Adsorption of benzene on copper, silver, and gold surfacesBilić, A; Reimers, JR; Hush, NS; Hoft, RC; Ford, MJ
14-Feb-2014An analytical data inversion method for magnetic circular dichroism spectra dominated by the "b-term"Reimers, JR; Krausz, E
14-Oct-2013Assignment of the Q-Bands of the Chlorophylls: Coherence Loss via Q x-Q y MixingReimers, JR; Cai, ZL; Kobayashi, R; Rätsep, M; Freiberg, A; Krausz, E
20-Jan-2011Atomic-resolution kinked structure of an alkylporphyrin on highly ordered pyrolytic graphiteChin, Y; Panduwinata, D; Sintic, M; Sum, TJ; Hush, NS; Crossley, MJ; Reimers, JR
2-Jul-2015Bond 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
28-Sep-2011Chain-branching control of the atomic structure of alkanethiol-based gold-sulfur interfacesWang, Y; Chi, Q; Zhang, J; Hush, NS; Reimers, JR; Ulstrup, J
1-Sep-2016Challenges facing an understanding of the nature of low-energy excited states in photosynthesisReimers, JR; Biczysko, M; Bruce, D; Coker, DF; Frankcombe, TJ; Hashimoto, H; Hauer, J; Jankowiak, R; Kramer, T; Linnanto, J; Mamedov, F; Müh, F; Rätsep, M; Renger, T; Styring, S; Wan, J; Wang, Z; Wang-Otomo, ZY; Weng, YX; Yang, C; Zhang, JP; Freiberg, A; Krausz, E
19-Jul-2012Challenges for the accurate simulation of anisotropic charge mobilities through organic molecular crystals: The β phase of mer-tris(8- hydroxyquinolinato)aluminum(III) (Alq3) crystalYin, S; Li, L; Yang, Y; Reimers, JR
23-Jun-2010Chemical analysis of the superatom model for sulfur-stabilized gold nanoparticlesReimers, JR; Wang, Y; Cankurtaran, BO; Ford, MJ
11-Jan-2017Competition of van der Waals and chemical forces on gold-sulfur surfaces and nanoparticlesReimers, JR; Ford, MJ; Marcuccio, SM; Ulstrup, J; Hush, NS
21-Feb-2011Complexation, computational, magnetic, and structural studies of the maillard reaction product isomaltol including investigation of an uncommon π interaction with copper(II)Heine, KB; Clegg, JK; Heine, A; Gloe, K; Gloe, K; Henle, T; Bernhard, G; Cai, ZL; Reimers, JR; Lindoy, LF; Lach, J; Kersting, B
20-Mar-2008The conduction properties of α,ω-diaminoalkanes and hydrazine bridging gold electrodesWohlthat, S; Pauly, F; Reimers, JR
15-Feb-2008Construction of building blocks for extended porphyrin arrays by nitration of porphyrin-2,3-diones and quinoxalino[2,3-b]porphyrinsCrossley, MJ; Sheehan, CS; Khoury, T; Reimers, JR; Sintic, PJ
24-Jan-2008Control of the orbital derealization and implications for molecular rectification in the radical anions of porphyrins with coplanar 90° and 180° β,β′-fused extensionsWenbo, E; Kadish, KM; Sintic, PJ; Khoury, T; Govenlock, LJ; Ou, Z; Shao, J; Ohkubo, K; Reimers, JR; Fukuzumi, S; Crossley, MJ
1-Feb-2008Control of the site and potential of reduction and oxidation processes in π-expanded quinoxalinoporphyrinsSintic, PJ; Wenbo, E; Ou, Z; Shao, J; McDonald, JA; Cai, ZL; Kadish, KM; Crossley, MJ; Reimers, JR
10-Dec-2014Controlling 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
1-Sep-2017The critical role of the transition-state cusp diameter in understanding adiabatic and non-adiabatic electron transferReimers, JR; Hush, NS
1-Feb-2018Defect states in hexagonal boron nitride: Assignments of observed properties and prediction of properties relevant to quantum computationSajid, A; Reimers, JR; Ford, MJ
14-Jan-2011Demonstration and interpretation of significant asymmetry in the low-resolution and high-resolution Q<inf>y</inf>fluorescence and absorption spectra of bacteriochlorophyll aRätsep, M; Cai, ZL; Reimers, JR; Freiberg, A