Browsing by Author Shapley, Warwick

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Issue DateTitleAuthor(s)Citation
2002An Atomistic Approach to Conduction Between Nanoelectrodes Through a Single MoleculeHush, Noel; Lambropoulos, Nicholas; Reimers, Jeffrey; Shapley, Warwick; Chemistry; Chemistry; Chemistry; ChemistryAn Atomistic Approach to Conduction Between Nanoelectrodes Through a Single Molecule, Annals of the New York Academy of Sciences, vol.960,(MOLECULAR ELECTRONICS II),2002,pp 100-130
2004Electronic Couplings And Energy Transfer Dynamics In The Oxidized Primary Electron Donor Of The Bacterial Reaction CenterReimers, Jeffrey; Shapley, Warwick; Fleming, Graham R; Jordanides, Xanthipe J; Scholes, Gregory D.; Chemistry; ChemistryElectronic Couplings And Energy Transfer Dynamics In The Oxidized Primary Electron Donor Of The Bacterial Reaction Center, The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, vol.108,(5),2004,pp 1753-1765
2002INDO/S parameters for goldHush, Noel; Reimers, Jeffrey; Shapley, Warwick; School of Molecular Bioscience; Chemistry; ChemistryINDO/S parameters for gold, International Journal of Quantum Chemistry, vol.90, 1,pp 424-438
2003Modeling the bacterial photosynthetic reaction center. V. Assignment of the electronic transition observed at 2200cm -1 in the special-pair radical-caation as a second-highest occupied molecular orbital to highest occupied molecular orbital transitionHush, Noel; Reimers, Jeffrey; Shapley, Warwick; Chemistry; Chemistry; ChemistryModeling the bacterial photosynthetic reaction center. V. Assignment of the electronic transition observed at 2200cm -1 in the special-pair radical-caation as a second-highest occupied molecular orbital to highest occupied molecular orbital transition, Journal of Chemical Physics, vol.119,(6),2003,pp 3240-3248
2003Modelling the bacterial photosynthetic reaction center. VI. Use of density-functional theory to determine the nature of the vibronic coupling between the four lowest-energy electronic states of the special-pair radical cationHush, Noel; Reimers, Jeffrey; Shapley, Warwick; Rendell, Alistair P.; Chemistry; Chemistry; ChemistryModelling the bacterial photosynthetic reaction center. VI. Use of density-functional theory to determine the nature of the vibronic coupling between the four lowest-energy electronic states of the special-pair radical cation, Journal of Chemical Physics, vol.119,(6),2003,pp 3249-3261