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Geoffrey Hutchison
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Open Babel: An open chemical toolbox
NM O'Boyle, M Banck, CA James, C Morley, T Vandermeersch, ...
Journal of cheminformatics 3, 1-14, 2011
89202011
Avogadro: an advanced semantic chemical editor, visualization, and analysis platform
MD Hanwell, DE Curtis, DC Lonie, T Vandermeersch, E Zurek, ...
Journal of cheminformatics 4, 1-17, 2012
88242012
Hopping transport in conductive heterocyclic oligomers: reorganization energies and substituent effects
GR Hutchison, MA Ratner, TJ Marks
Journal of the American Chemical Society 127 (7), 2339-2350, 2005
7832005
Building Blocks for N-Type Molecular and Polymeric Electronics. Perfluoroalkyl- versus Alkyl-Functionalized Oligothiophenes (nTs; n = 2−6). Systematic Synthesis …
A Facchetti, MH Yoon, CL Stern, GR Hutchison, MA Ratner, TJ Marks
Journal of the American Chemical Society 126 (41), 13480-13501, 2004
7302004
Building Blocks for n-Type Molecular and Polymeric Electronics. Perfluoroalkyl- versus Alkyl-Functionalized Oligothiophenes (nT; n = 2-6). Systematics of Thin Film …
A Facchetti, M Mushrush, MH Yoon, GR Hutchison, MA Ratner, TJ Marks
J. Am. Chem. Soc 126 (42), 13859-13874, 2004
7302004
The Blue Obelisk—interoperability in chemical informatics
R Guha, MT Howard, GR Hutchison, P Murray-Rust, H Rzepa, ...
Journal of chemical information and modeling 46 (3), 991-998, 2006
4942006
Intermolecular charge transfer between heterocyclic oligomers. Effects of heteroatom and molecular packing on hopping transport in organic semiconductors
GR Hutchison, MA Ratner, TJ Marks
Journal of the American Chemical Society 127 (48), 16866-16881, 2005
4832005
Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit
NM O'Boyle, C Morley, GR Hutchison
Chemistry Central Journal 2, 1-7, 2008
4402008
Confab-Systematic generation of diverse low-energy conformers
NM O'Boyle, T Vandermeersch, CJ Flynn, AR Maguire, GR Hutchison
Journal of cheminformatics 3, 1-9, 2011
2832011
Tuning the Kondo effect with a mechanically controllable break junction
JJ Parks, AR Champagne, GR Hutchison, S Flores-Torres, HD Abruna, ...
Physical Review Letters 99 (2), 026601, 2007
2482007
Charge hopping in molecular wires as a sequence of electron-transfer reactions
YA Berlin, GR Hutchison, P Rempala, MA Ratner, J Michl
The Journal of Physical Chemistry A 107 (19), 3970-3980, 2003
2332003
Efficient computational screening of organic polymer photovoltaics
IY Kanal, SG Owens, JS Bechtel, GR Hutchison
The journal of physical chemistry letters 4 (10), 1613-1623, 2013
2102013
Computational design and selection of optimal organic photovoltaic materials
NM O’Boyle, CM Campbell, GR Hutchison
The Journal of Physical Chemistry C 115 (32), 16200-16210, 2011
1962011
Electronic structure of conducting polymers: Limitations of oligomer extrapolation approximations and effects of heteroatoms
GR Hutchison, YJ Zhao, B Delley, AJ Freeman, MA Ratner, TJ Marks
Physical Review B 68 (3), 035204, 2003
1912003
Avogadro: an advanced semantic chemical editor, visualization, and analysis platform. J Cheminform 4: 17
MD Hanwell, DE Curtis, DC Lonie, T Vandermeersch, E Zurek, ...
1582012
Accurate prediction of band gaps in neutral heterocyclic conjugated polymers
GR Hutchison, MA Ratner, TJ Marks
The Journal of Physical Chemistry A 106 (44), 10596-10605, 2002
1512002
Anode interfacial engineering approaches to enhancing anode/hole transport layer interfacial stability and charge injection efficiency in organic light-emitting diodes
J Cui, Q Huang, JCG Veinot, H Yan, Q Wang, GR Hutchison, AG Richter, ...
Langmuir 18 (25), 9958-9970, 2002
1332002
Open Babel: an open chemical toolbox. J Cheminform. 2011; 3: 33
NM O’Boyle, M Banck, CA James, C Morley, T Vandermeersch, ...
1132021
Open data, open source and open standards in chemistry: the Blue Obelisk five years on
NM O'boyle, R Guha, EL Willighagen, SE Adams, J Alvarsson, JC Bradley, ...
Journal of cheminformatics 3, 1-15, 2011
992011
Electronic structure and band gaps in cationic heterocyclic oligomers. Multidimensional analysis of the interplay of heteroatoms, substituents, molecular length, and charge on …
GR Hutchison, MA Ratner, TJ Marks
The Journal of Physical Chemistry B 109 (8), 3126-3138, 2005
952005
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