Browsing by Author Reimers, JR

Showing results 1 to 20 of 72  next >
Issue DateTitleAuthor(s)
1-Dec-2018Understanding non-linear effects from Hill-type dynamics with application to decoding of p53 signalingShi, X; Reimers, JR
1-Jun-2018A new fundamental type of conformational isomerismCanfield, PJ; Blake, IM; Cai, ZL; Luck, IJ; Krausz, E; Kobayashi, R; Reimers, JR; Crossley, MJ
13-Mar-2018Understanding and Calibrating Density-Functional-Theory Calculations Describing the Energy and Spectroscopy of Defect Sites in Hexagonal Boron NitrideReimers, JR; Sajid, A; Kobayashi, R; Ford, MJ
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
9-Jan-2018How Equilibrium Gets Mimicked during Kinetic and Thermodynamic Control in Porphyrin and Phthalocyanine Self-Assembled MonolayersReimers, JR
1-Dec-2017Solving the scalability issue in quantum-based refinement: QZheng, M; Moriarty, NW; Xu, Y; Reimers, JR; Afonine, PV; Waller, MP
19-Oct-2017Dipole Order in Halide Perovskites: Polarization and Rashba Band SplittingsHu, S; Gao, H; Qi, Y; Tao, Y; Li, Y; Reimers, JR; Bokdam, M; Franchini, C; Di Sante, D; Stroppa, A; Ren, W
1-Sep-2017The critical role of the transition-state cusp diameter in understanding adiabatic and non-adiabatic electron transferReimers, JR; Hush, NS
1-Sep-2017Relating transition-state spectroscopy to standard chemical spectroscopic processesReimers, JR; Hush, NS
19-May-2017Diabatic models with transferrable parameters for generalized chemical reactionsReimers, JR; McKemmish, LK; McKenzie, RH; Hush, NS
22-Mar-2017Erratum: Competition of van der Waals and chemical forces on gold–sulfur surfaces and nanoparticlesReimers, JR; Ford, MJ; Marcuccio, SM; Ulstrup, J; Hush, NS
1-Feb-2017Sulfur ligand mediated electrochemistry of gold surfaces and nanoparticles: What, how, and whyChi, Q; Ford, MJ; Halder, A; Hush, NS; Reimers, JR; Ulstrup, J
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
1-Jan-2017QZheng, M; Reimers, JR; Waller, MP; Afonine, PV
1-Jan-2017Surface AdsorptionReimers, JR; Li, M; Wan, D; Gould, T; Ford, MJ
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
27-Jun-2016En ny historie om guld og svovlReimers, JR; Chi, Q; Ford, MJ; Halder, A; Hush, NS; Ulstrup, J; Zhang, J
2-May-2016Problems, successes and challenges for the application of dispersion-corrected density-functional theory combined with dispersion-based implicit solvent models to large-scale hydrophobic self-assembly and polymorphismReimers, JR; Ford, MJ; Goerigk, L
15-Mar-2016Gold 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
28-Jan-2016From 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