Computational Design of Intrinsic Molecular Rectifiers Based on Asymmetric Functionalization of <i>N</i>-Phenylbenzamide
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- Wendu Ding
- Department of Chemistry, Yale University, P.O. Box 208107, New Haven, Connecticut 06520-8107, United States
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- Matthieu Koepf
- Yale Energy Sciences Institute, Yale University, P.O. Box 27394, West Haven, Connecticut 06516-7394, United States
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- Christopher Koenigsmann
- Yale Energy Sciences Institute, Yale University, P.O. Box 27394, West Haven, Connecticut 06516-7394, United States
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- Arunabh Batra
- Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027, United States
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- Latha Venkataraman
- Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027, United States
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- Christian F. A. Negre
- Department of Chemistry, Yale University, P.O. Box 208107, New Haven, Connecticut 06520-8107, United States
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- Gary W. Brudvig
- Department of Chemistry, Yale University, P.O. Box 208107, New Haven, Connecticut 06520-8107, United States
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- Robert H. Crabtree
- Department of Chemistry, Yale University, P.O. Box 208107, New Haven, Connecticut 06520-8107, United States
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- Charles A. Schmuttenmaer
- Department of Chemistry, Yale University, P.O. Box 208107, New Haven, Connecticut 06520-8107, United States
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- Victor S. Batista
- Department of Chemistry, Yale University, P.O. Box 208107, New Haven, Connecticut 06520-8107, United States
書誌事項
- 公開日
- 2015-11-11
- DOI
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- 10.1021/acs.jctc.5b00823
- 公開者
- American Chemical Society (ACS)
この論文をさがす
収録刊行物
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- Journal of Chemical Theory and Computation
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Journal of Chemical Theory and Computation 11 (12), 5888-5896, 2015-11-11
American Chemical Society (ACS)
