| Open Babel: An open chemical toolbox NM O'Boyle, M Banck, CA James, C Morley, T Vandermeersch, ... Journal of cheminformatics 3 (1), 1-14, 2011 | 3942 | 2011 |
| 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), 1-17, 2012 | 3849 | 2012 |
| 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 | 665 | 2004 |
| 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 | 665 | 2004 |
| 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 | 632 | 2005 |
| 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 | 474 | 2006 |
| 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 | 414 | 2005 |
| Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit NM O'Boyle, C Morley, GR Hutchison Chemistry Central Journal 2 (1), 1-7, 2008 | 296 | 2008 |
| 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 | 224 | 2007 |
| 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 | 206 | 2003 |
| 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 | 172 | 2003 |
| 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 | 150 | 2011 |
| Confab-Systematic generation of diverse low-energy conformers NM O'Boyle, T Vandermeersch, CJ Flynn, AR Maguire, GR Hutchison Journal of cheminformatics 3 (1), 1-9, 2011 | 145 | 2011 |
| 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 | 144 | 2013 |
| 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 | 138 | 2002 |
| 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 | 122 | 2002 |
| 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 | 89 | 2005 |
| Ruthenium molecular wires with conjugated bridging ligands: Onset of band formation in linear inorganic conjugated oligomers S Flores-Torres, GR Hutchison, LJ Soltzberg, HD Abruña Journal of the American Chemical Society 128 (5), 1513-1522, 2006 | 80 | 2006 |
| 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), 1-15, 2011 | 73 | 2011 |
| Sequence matters: modulating electronic and optical properties of conjugated oligomers via tailored sequence BN Norris, S Zhang, CM Campbell, JT Auletta, P Calvo-Marzal, ... Macromolecules 46 (4), 1384-1392, 2013 | 68 | 2013 |
Marcus D. HanwellComputational Scientist at Brookhaven National LaboratoryVerified email at bnl.gov
