Noel M. O’Boyle , Michael Banck , Craig A. James , Chris Morley , Tim Vandermeersch, Geoffrey R. Hutchison. “Open Babel: An open chemical toolbox.” J. Cheminf. 2011 3:33. Open Access.
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Category Archives: Publication
Tamika A. Madison, Geoffrey R. Hutchison. “The Effects of Charge Localization on the Orbital Energies of Bithiophene Clusters.” J. Phys. Chem. C 2011 115(35) pp 17558–17563. Available Online.
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Noel M. O’Boyle, Casey M. Campbell, Geoffrey R. Hutchison. “Computational Design and Selection of Optimal Organic Photovoltaic Materials.” J. Phys. Chem. C 2011 115 (32) pp 16200–16210. Available Online.
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Noel M. O’Boyle, Tim Vandermeersch, Christopher J. Flynn, Anita R. Maguire, Geoffrey R. Hutchison. “Confab – Systematic generation of diverse low-energy conformers.” J. Cheminf. 2011 3:8. Available Online
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Marcus D. Hanwell, Tamika A. Madison, Geoffrey R. Hutchison. “Charge Transport in Imperfect Organic Field Effect Transistors: Effects of Explicit Defects and Electrostatics.” J. Phys. Chem. C 2010 114(48) 20417-20423. Available Online.
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Noel M. O’Boyle, Chris Morley, Geoffrey R. Hutchison. “Cinfony – Combining Open Source cheminformatics toolkits behind a common interface.” Chem. Central J. 2008 2:24. Available Online.
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Noel M. O’Boyle, Chris Morley, Geoffrey R. Hutchison. “Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit.” Chem. Central J. 2008 2 art. 5. Available Online.
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Yasuyuki Kiya, Jay C. Henderson, Geoffrey R. Hutchison, Héctor D. Abruña. “5,5′-Bis(methylthio)-2,2′-bithiophene: A Potential Cathode Electroactive Material for Energy Storage Devices.” J. Phys. Chem. C 2008 112(10) 3989-3997. Available Online.
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