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Issue DateTitleAuthor(s)Citation
2007Quinoxalino[2,3-b']porphyrins behave as pi-expanded porphyrins upon one-electron reduction: Broad control of the degree of delocalization through substitution at the macrocycle peripheryCai, Zhengli; Crossley, Maxwell; Govenlock, Linda; McDonald, James; Reimers, Jeffrey; Sintic, Paul; Try, Andrew; Fukuzumi, Shunichi; Kadish, Karl M; Ohkubo, Kei; Ou, Zhongping; Shao, Jianguo; Wenbo, E; Chemistry; Chemistry; Chemistry; Chemistry; Chemistry; Chemistry; Science Faculty AdminQuinoxalino[2,3-b']porphyrins behave as pi-expanded porphyrins upon one-electron reduction: Broad control of the degree of delocalization through substitution at the macrocycle periphery, The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, vol.111,(30),2007,pp 8762-8774
2007Observation of the predissociated, quasilinear B˜ ((1)A') state of CHF by optical-optical double resonanceKable, Scott; Schmidt, Timothy; Reid, Scott A; Tao, Chong; Chemistry; ChemistryObservation of the predissociated, quasilinear B˜ ((1)A') state of CHF by optical-optical double resonance, Journal of Chemical Physics, vol.126,(0),2007,pp 051105-1-051105-4
2007Understanding and improving solid-state polymer/C60-fullerene bulk-heterojunction solar cells using ternary porphyrin blendsBlake, Iain; Crossley, Maxwell; Hush, Noel; Reimers, Jeffrey; Thordarson, Pall; Belcher, Warwick J; Campbell, Wayne M; Dastoor, PC; Dean, Benjamin; Fell, Christopher J; Foster, Christopher J; Frohne, Holger; McNeill, Christopher R; Officer, David L; Chemistry; Chemistry; School of Molecular Bioscience; Chemistry; ChemistryUnderstanding and improving solid-state polymer/C60-fullerene bulk-heterojunction solar cells using ternary porphyrin blends, The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, vol.111,(42),2007,pp 15415-15426
2007The Lowest Singlet (n,pi*) and (pi, pi*) Excited States of the Hydrogen-Bonded Complex between Water and PyrazineCai, Zhengli; Reimers, Jeffrey; Chemistry; ChemistryThe Lowest Singlet (n,pi*) and (pi, pi*) Excited States of the Hydrogen-Bonded Complex between Water and Pyrazine, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.111,(5),2007,pp 954-962
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
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
2007The Green's function density functional tight-binding (gDFTB) method for molecular electronic conductionBilic, Ante; Hush, Noel; Reimers, Jeffrey; Solomon, Gemma; Di Carlo, Aldo; Frauenheim, Thomas; Gagliardi, Alessio; Pecchia, Alessandro; Chemistry; Molecular & Microbial Bioscien; Chemistry; ChemistryThe Green's function density functional tight-binding (gDFTB) method for molecular electronic conduction, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.111,(26),2007,pp 5692-5702