Effective polarization energy of the naphthalene molecular crystal: a study on the polarizable force field
Author:
Publisher
Springer Science and Business Media LLC
Subject
General Chemistry
Link
http://link.springer.com/content/pdf/10.1007/s11426-014-5182-z.pdf
Reference34 articles.
1. Bredas JL, Beljonne D, Coropceanu V, Cornil J. Charge-transfer and energy-transfer processes in π-conjugated oligomers and polymers: a molecular picture. Chem Rev, 2004, 104: 4971–5004
2. Coropceanu V, Cornil J, da Silva Filho DA, Olivier Y, Silbey R, Bredas JL. Charge transport in organic semiconductors. Chem Rev, 2007, 107: 926–952
3. Kwiatkowski JJ, Nelson J, Li H, Bredas JL, Wenzel W, Lennartz C. Simulating charge transport in tris(8-hydroxyquinoline) aluminium (Alq3). Phys Chem Chem Phys, 2008, 10: 1852–1858
4. Baumeier B, May F, Lennartz C, Andrienko D. Challenges for in silico design of organic semiconductors. J Mater Chem, 2012, 22: 10971–10976
5. Cornil J, Verlaak S, Martinelli N, Mityashin A, Olivier Y, Van Regemorter T, D’Avino G, Muccioli L, Zannoni C, Castet F, Beljonne D, Heremans P. Exploring the energy landscape of the charge transport levels in organic semiconductors at the molecular scale. Acc Chem Res, 2012, 46: 434–443
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