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Issue DateTitleAuthor(s)Citation
2006The Screened Atomic Potential - A Simple Explanation of the Aufbau ModelBacskay, George; Eek, William; Nordholm, Sture; ChemistryThe Screened Atomic Potential - A Simple Explanation of the Aufbau Model, Chemical Educator, vol.11,(0),2006,pp 235-242
2008Towards a comprehensive model for the electronic and vibrational structure of the Creutz-Taube ionHush, Noel; Reimers, Jeffrey; Wallace, Brett; Molecular Bioscience; Chemistry; ChemistryTowards a comprehensive model for the electronic and vibrational structure of the Creutz-Taube ion, Philosophical Transactions of the Royal Society A-Mathematical Physical and Engineering Sciences, vol.366, 1862, 2008,pp 15-31
2008The conduction properties of alpha,omega-diaminoalkanes and hydrazine bridging gold electrodesReimers, Jeffrey; Wohlthat, Soren; Pauly, Fabian; Chemistry; ChemistryThe conduction properties of alpha,omega-diaminoalkanes and hydrazine bridging gold electrodes, Chemical Physics Letters, vol.454, 4-6, 2008,pp 284-288
2008On the origin of paramagnetism in planar nickel(II) complexesBridgeman, Adam; ChemistryOn the origin of paramagnetism in planar nickel(II) complexes, Dalton Transactions: an international journal of inorganic, organometallic and bioinorganic chemistry, vol.2008, 15, 2008,pp 1989-1992
2007Understanding the chemisorption of 2-methyl-2-propanethiol on Au(111)Hush, Noel; Reimers, Jeffrey; Wang, Yun; Molecular & Microbial Bioscien; Chemistry; ChemistryUnderstanding the chemisorption of 2-methyl-2-propanethiol on Au(111), The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, vol.111,(29),2007,pp 10878-10885
2008Mixed valence: Origins and developmentHush, Noel; Clark, Robin J H; Day, Peter; Molecular BioscienceMixed valence: Origins and development, Philosophical Transactions of the Royal Society A-Mathematical Physical and Engineering Sciences, vol.366, 1862, 2008,pp 5-14
2007Simulation of the Au(111)-(22 x equation symbol over 3) surface reconstructionHush, Noel; Reimers, Jeffrey; Wang, Yun; Chemistry; Chemistry; ChemistrySimulation of the Au(111)-(22 x equation symbol over 3) surface reconstruction, Physical Review B (Condensed Matter and Materials Physics), vol.75,(23),2007,pp 233416-1-233416-4
2007Assignment of the Qy absorption spectrum of photosystem-I from thermosynechococcus elongatus based on CAM-B3LYP calculations at the PW91-optimized protein structureCanfield, Peter; Dahlbom, Mats; Hush, Noel; Reimers, Jeffrey; Yin, Shiwei; Kobayashi, Rika; Chemistry; Chemistry; Chemistry; Chemistry; ChemistryAssignment of the Qy absorption spectrum of photosystem-I from thermosynechococcus elongatus based on CAM-B3LYP calculations at the PW91-optimized protein structure, The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, vol.111,(33),2007,pp 9923-9930
2007A priori method for propensity rules for inelastic electron tunneling spectroscopy of single-molecule conductionHush, Noel; Reimers, Jeffrey; Solomon, Gemma; Di Carlo, Aldo; Frauenheim, Thomas; Gagliardi, Alessio; Pecchia, Alessandro; Chemistry; Chemistry; ChemistryA priori method for propensity rules for inelastic electron tunneling spectroscopy of single-molecule conduction, Physical Review B (Condensed Matter and Materials Physics), vol.75,(17),2007,pp 174306-1-174306-8
2007Quantum effects in loosley bound complexesCrittenden, Deborah; Jordan, Meredith; Thompson, Keiran; Pharmacy; Chemistry; ChemistryQuantum effects in loosley bound complexes in Advances in Quantum Monte Carlo, American Chemical Society, 2007, pp. 101-140