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Emergence of Nonlinear Optical Activity by Incorporation of a Linker Carrying the p-Nitroaniline Motif in MIL-53 Frameworks.
Markey K, Krüger M, Seidler T, Reinsch H, Verbiest T, De Vos DE, Champagne B, Stock N, van der Veen MA. Markey K, et al. Among authors: champagne b. J Phys Chem C Nanomater Interfaces. 2017 Nov 16;121(45):25509-25519. doi: 10.1021/acs.jpcc.7b09190. Epub 2017 Oct 17. J Phys Chem C Nanomater Interfaces. 2017. PMID: 29170688 Free PMC article.
Evaluation of the Linear and Second-Order NLO Properties of Molecular Crystals within the Local Field Theory: Electron Correlation Effects, Choice of XC Functional, ZPVA Contributions, and Impact of the Geometry in the Case of 2-Methyl-4-nitroaniline.
Seidler T, Stadnicka K, Champagne B. Seidler T, et al. Among authors: champagne b. J Chem Theory Comput. 2014 May 13;10(5):2114-24. doi: 10.1021/ct5001654. Epub 2014 Apr 21. J Chem Theory Comput. 2014. PMID: 26580538
345 results