Browsing by Author Dahlbom, Mats

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Issue DateTitleAuthor(s)Citation
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
2006Charge delocalization in the special-pair radical cation of mutant reaction centers of Rhodobacter sphaeroides from stark spectra and nonadiabatic spectral simulationsDahlbom, Mats; Hush, Noel; Reimers, Jeffrey; Boxer, Steven G.; Kanchanawong, Pakorn; Treynor, Thomas; Chemistry; Chemistry; ChemistryCharge delocalization in the special-pair radical cation of mutant reaction centers of Rhodobacter sphaeroides from stark spectra and nonadiabatic spectral simulations, The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, vol.110,(37),2006,pp 18688-18702
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
2004Molecular Electronics: From Basic Chemical Principles To Photosynthesis To Steady-State Through-Molecule Conductivity To Computer ArchitecturesBilic, Ante; Cai, Zhengli; Crossley, Maxwell; Dahlbom, Mats; Hush, Noel; Lambropoulos, Nicholas; Reimers, Jeffrey; Solomon, Gemma; Chemistry; Chemistry; Chemistry; Chemistry; School of Molecular Bioscience; Chemistry; Chemistry; ChemistryMolecular Electronics: From Basic Chemical Principles To Photosynthesis To Steady-State Through-Molecule Conductivity To Computer Architectures, Australian Journal of Chemistry: an international journal for chemical science, vol.57,(12),2004,pp 1133-1138
2007Pressure-induced spectral changes for the special-pair radical cation of the bacterial photosynthetic reaction centerDahlbom, Mats; Hush, Noel; Reimers, Jeffrey; Freiberg, Arvi; Leiger, Kristjan; Chemistry; Molecular & Microbial Bioscien; ChemistryPressure-induced spectral changes for the special-pair radical cation of the bacterial photosynthetic reaction center, Journal of Chemical Physics, vol.126,(21),2007,pp 215102-1-215102-13
2005Successes and failures of time-dependent density functional theory for the low-lying excited states of chlorophyllsDahlbom, Mats; Reimers, Jeffrey; Chemistry; ChemistrySuccesses and failures of time-dependent density functional theory for the low-lying excited states of chlorophylls, Molecular Physics: an international journal in the field of chemical physics, vol.103,(6-8),2005,pp 1057-1065