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2003 1
2014 1
2015 1
2016 1
2017 1
2019 1
2020 1
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Are Electron Affinity and Ionization Potential Intrinsic Parameters to Predict the Electron or Hole Acceptor Character of Amorphous Molecular Materials?
Louis E, San-Fabián E, Díaz-García MA, Chiappe G, Vergés JA. Louis E, et al. Among authors: san fabian e. J Phys Chem Lett. 2017 Jun 1;8(11):2445-2449. doi: 10.1021/acs.jpclett.7b00681. J Phys Chem Lett. 2017. PMID: 28565912 No abstract available.
Transport and Optical Gaps in Amorphous Organic Molecular Materials.
San-Fabián E, Louis E, Díaz-García MA, Chiappe G, Vergés JA. San-Fabián E, et al. Molecules. 2019 Feb 9;24(3):609. doi: 10.3390/molecules24030609. Molecules. 2019. PMID: 30744125 Free PMC article.
Intra- and intermolecular dispersion interactions in [N]cycloparaphenylenes: do they influence their structural and electronic properties?
Climent-Medina JV, Pérez-Jiménez ÁJ, Moral M, San-Fabián E, Sancho-García JC. Climent-Medina JV, et al. Among authors: san fabian e. Chemphyschem. 2015 May 18;16(7):1520-8. doi: 10.1002/cphc.201500068. Epub 2015 Mar 18. Chemphyschem. 2015. PMID: 25787110
Herringbone Pattern and CH-π Bonding in the Crystal Architecture of Linear Polycyclic Aromatic Hydrocarbons.
Guijarro A, Vergés JA, San-Fabián E, Chiappe G, Louis E. Guijarro A, et al. Among authors: san fabian e. Chemphyschem. 2016 Nov 4;17(21):3548-3557. doi: 10.1002/cphc.201600586. Epub 2016 Sep 22. Chemphyschem. 2016. PMID: 27653622
Investigating the (Poly)Radicaloid Nature of Real-World Organic Compounds with DFT-Based Methods.
Salvitti G, Negri F, Pérez-Jiménez ÁJ, San-Fabián E, Casanova D, Sancho-García JC. Salvitti G, et al. Among authors: san fabian e. J Phys Chem A. 2020 May 7;124(18):3590-3600. doi: 10.1021/acs.jpca.0c01239. Epub 2020 Apr 22. J Phys Chem A. 2020. PMID: 32276537
Cyclobutadiene automerization and rotation of ethylene: energetics of the barriers by using spin-polarized wave functions.
San-Fabián E, Moscardó F. San-Fabián E, et al. J Comput Chem. 2014 Jul 5;35(18):1356-63. doi: 10.1002/jcc.23630. Epub 2014 May 10. J Comput Chem. 2014. PMID: 24817406
Analysis of scanning tunneling spectroscopy experiments from first principles: the test case of C60 adsorbed on Au(111).
Pérez-Jiménez AJ, Palacios JJ, Louis E, SanFabián E, Vergés JA. Pérez-Jiménez AJ, et al. Chemphyschem. 2003 Apr 14;4(4):388-92. doi: 10.1002/cphc.200390068. Chemphyschem. 2003. PMID: 12728556 No abstract available.
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