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Issue DateTitleAuthor(s)
2012-01-01First steps towards quantum refinement of protein X-ray structuresGoerigk, L; Falklöf, O; Collyer, CA; Reimers, JR
2012-01-01Toward ab initio refinement of protein X-ray crystal structures: Interpreting and correlating structural fluctuationsFalklöf, O; Collyer, CA; Reimers, JR
2010-06-23Chemical analysis of the superatom model for sulfur-stabilized gold nanoparticlesReimers, JR; Wang, Y; Cankurtaran, BO; Ford, 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
2009-08-13Penrose-Hameroff orchestrated objective-reduction proposal for human consciousness is not biologically feasibleMcKemmish, LK; Reimers, JR; McKenzie, RH; Mark, AE; Hush, NS
2011-01-14Demonstration 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
2014-12-18Recommending Hartree-Fock theory with London-dispersion and basis-set-superposition corrections for the optimization or quantum refinement of protein structuresGoerigk, L; Collyer, CA; Reimers, JR
2019-05-09Noel S. HushReimers, JR
2012-07-19Challenges 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
2017-01-01Surface AdsorptionReimers, JR; Li, M; Wan, D; Gould, T; Ford, MJ
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