Browsing by Author Reimers, Jeffrey

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Issue DateTitleAuthor(s)Citation
2005Coexistence of multiple conformations in cysteamine monolayers on Au(111)Bilic, Ante; Hush, Noel; Reimers, Jeffrey; Ulstrup, Jens; Zhang, Jingdong; Chemistry; School of Molecular Bioscience; ChemistryCoexistence of multiple conformations in cysteamine monolayers on Au(111), The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, vol.109,(32),2005,pp 15355-15367
2011Complexation, computational, magnetic, and structural studies of the Maillard reaction product isomaltol including investigation of an uncommon pi interaction with copper(II)Cai, Zhengli; Clegg, Jack; Lindoy, Leonard; Reimers, Jeffrey; Bernhard, Gert; Gloe, Karsten; Gloe, Kerstin; Heine, Axel; Heine, Katja; Henle, Thomas; Kersting, Berthold; Lach, Jochen; Chemistry; Chemistry; Chemistry; ChemistryComplexation, computational, magnetic, and structural studies of the Maillard reaction product isomaltol including investigation of an uncommon pi interaction with copper(II), Inorganic Chemistry, vol.50, 4, 2011,pp 1498-1505
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
2008Construction of building blocks for extended porphyrin arrays by nitration of porphyrin-2,3-diones and quinoxalino[2,3-b]porphyrinsCrossley, Maxwell; Khoury, Tony; Reimers, Jeffrey; Sheehan, Craig; Sintic, Paul; Chemistry; Chemistry; Chemistry; Chemistry; ChemistryConstruction of building blocks for extended porphyrin arrays by nitration of porphyrin-2,3-diones and quinoxalino[2,3-b]porphyrins, New Journal of Chemistry, vol.32,(2),2008,pp 340-352
2008Control of the orbital delocalization and implications for molecular rectification in the radical anions of porphyrins with coplanar 90 degrees and 180 degrees beta,beta'-fused extensionsCrossley, Maxwell; Govenlock, Linda; Khoury, Tony; Reimers, Jeffrey; Sintic, Paul; E, Wenbo; Fukuzumi, Shunichi; Kadish, Karl M; Ohkubo, Kei; Ou, Zhongping; Shao, Jianguo; Chemistry; Chemistry; Chemistry; Chemistry; ChemistryControl of the orbital delocalization and implications for molecular rectification in the radical anions of porphyrins with coplanar 90 degrees and 180 degrees beta,beta'-fused extensions, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.112,(3),2008,pp 556-570
2008Control of the site and potential of reduction and oxidation processes in pi-expanded quinoxalinoporphyrinsCai, Zhengli; Crossley, Maxwell; McDonald, James; Reimers, Jeffrey; Sintic, Paul; E, Wenbo; Kadish, Karl M; Ou, Zhongping; Shao, Jianguo; Chemistry; Chemistry; Chemistry; Chemistry; ChemistryControl of the site and potential of reduction and oxidation processes in pi-expanded quinoxalinoporphyrins, Physical Chemistry Chemical Physics, vol.10,(4),2008,pp 515-527
2011Demonstration and interpretation of significant asymmetry in the low-resolution and high-resolution Q(y) fluorescence and absorption specta of bacteriochlorophyll aCai, Zhengli; Reimers, Jeffrey; Freiberg, Arvi; Ratsep, Margus; Chemistry; ChemistryDemonstration and interpretation of significant asymmetry in the low-resolution and high-resolution Q(y) fluorescence and absorption specta of bacteriochlorophyll a, Journal of Chemical Physics, vol.134, 2, 2011,pp 024506-1-024506-15
2006Density functional theory for charge transfer: The nature of the N-bands of porphyrins and chlorophylls revealed through CAM-B3LYP, CASPT2, and SAC-CI calculationsCai, Zhengli; Crossley, Maxwell; Reimers, Jeffrey; Amos, Roger D.; Kobayashi, Rika; Chemistry; Chemistry; ChemistryDensity functional theory for charge transfer: The nature of the N-bands of porphyrins and chlorophylls revealed through CAM-B3LYP, CASPT2, and SAC-CI calculations, The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, vol.110,(31),2006,pp 15624-15632
2006Density-functional geometry optimization of the 150 000-atom photosystem-I trimerCanfield, Peter; Dahlbom, Mats; Hush, Noel; Reimers, Jeffrey; Chemistry; Chemistry; School of Molecular Bioscience; ChemistryDensity-functional geometry optimization of the 150 000-atom photosystem-I trimer, Journal of Chemical Physics, vol.124,(2),2006,pp 024301-1-024301-15
2004Dissociated Water On Si(100): Relation Between Stm Topograph And Actual GeometryBilic, Ante; Hush, Noel; Reimers, Jeffrey; Chemistry; Chemistry; ChemistryDissociated Water On Si(100): Relation Between Stm Topograph And Actual Geometry, Surface Review and Letters, vol.11,(2),2004,pp 185-190
2001The effect of alkylation of N- and O-donor atoms on their strength of coordination to silver(I)Lindoy, Leonard; Reimers, Jeffrey; Widmer-Cooper, Asaph; Chemistry; Chemistry; ChemistryThe effect of alkylation of N- and O-donor atoms on their strength of coordination to silver(I), The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.105, N/A, 2001,pp 6567-6574
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
2009Evanescent-field spectroscopy using structured optical fibers: Detection of charge-transfer at the porphyrin-silica interfaceCanning, John; Crossley, Maxwell; Khoury, Tony; Martelli, Cicero; Reimers, Jeffrey; Sintic, Maxine; Stocks, Danial; Chemistry; Chemistry; Chemistry; Electrical Engineering; Chemistry; Chemistry; ChemistryEvanescent-field spectroscopy using structured optical fibers: Detection of charge-transfer at the porphyrin-silica interface, Journal of the American Chemical Society, vol.131, 8, 2009,pp 2925-2933
2003Examination of the photophysical processes of chlorophyll d leading to a clarificaiton of proposed uphill energy transfer processess in cells of Acaryochloris marinaCai, Zhengli; Chen, Min; Clarke, Ronald; Larkum, Anthony; Nieuwenburg, Patty; Reimers, Jeffrey; Cabral, Nuno M.; Ghiggino, Kenneth P.; Chemistry; Biological Sciences; Chemistry; Biological Sciences; Chemistry; ChemistryExamination of the photophysical processes of chlorophyll d leading to a clarificaiton of proposed uphill energy transfer processess in cells of Acaryochloris marina, Photochemistry and Photobiology, vol.77,(6),2003,pp 628-637
2004Explanation Of The Anomalous Complexation Of Silver(I) With Ammonia In Terms Of The Poor Affinity Of The Ion For WaterLindoy, Leonard; Reimers, Jeffrey; Antolovich, Michael; Chemistry; ChemistryExplanation Of The Anomalous Complexation Of Silver(I) With Ammonia In Terms Of The Poor Affinity Of The Ion For Water, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.108,(40),2004,pp 8434-8438
2013Efficient Methods for the Quantum Chemical Treatment of Protein Structures: The Effects of London-Dispersion and Basis-Set Incompleteness on Peptide and Water-Cluster GeometriesGoerigk, Lars; Reimers, Jeffrey; Chemistry; ChemistryEfficient Methods for the Quantum Chemical Treatment of Protein Structures: The Effects of London-Dispersion and Basis-Set Incompleteness on Peptide and Water-Cluster Geometries, Journal of Chemical Theory and Computation, vol.9, 7, 2013,pp 3240-3251
2002Failure of density-functional theory and time-dependent density-functional theory for large extended Pi systemsCai, Zhengli; Reimers, Jeffrey; Sendt, Karina; Chemistry; Chemistry; Chemical & Biomolecular EngineeringFailure of density-functional theory and time-dependent density-functional theory for large extended Pi systems, Journal of Chemical Physics, vol.117,(12),2002,pp 5543-5549
2002The First Singlet (n,Pi*) and (Pi,Pi*) Excited States of the Hydrogen-Bonded Complex between Water and PyridineCai, Zhengli; Reimers, Jeffrey; Chemistry; ChemistryThe First Singlet (n,Pi*) and (Pi,Pi*) Excited States of the Hydrogen-Bonded Complex between Water and Pyridine, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.106, 37,pp 8769-8778
2005First Singlet (n,π*) Excited State of Hydrogen-Bonded Complexes between Water and PyrimidineCai, Zhengli; Reimers, Jeffrey; Chemistry; ChemistryFirst Singlet (n,π*) Excited State of Hydrogen-Bonded Complexes between Water and Pyrimidine, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.109,(8),2005,pp 1576-1586
2012First Steps Towards Quantum Refinement of Protein X-ray StructuresCollyer, Charles; Goerigk, Lars; Reimers, Jeffrey; Falklof, Olle; Molecular Bioscience; Chemistry; ChemistryFirst Steps Towards Quantum Refinement of Protein X-ray Structures in Quantum Simulations of Materials and Biological Systems, Springer, 2012, pp. 87-120