Lucena JR Jr - Search Results

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Bond analysis in meta- and para-substituted thiophenols: overlap descriptors, local mode analysis, and QTAIM.

Barbosa WG, Santos-Jr CV, Andrade RB, Lucena JR Jr, Moura RT Jr. Barbosa WG, et al. Among authors: lucena jr jr. J Mol Model. 2024 Apr 19;30(5):139. doi: 10.1007/s00894-024-05932-1. J Mol Model. 2024. PMID: 38639900

Accurate calculation of the ionization energies of the chlorine lone pairs in 1,1,1-trifluoro-2-chloroethane (HCFC-133a).

Rodrigues GP, Lucena JR Jr, Ventura E, do Monte SA. Rodrigues GP, et al. Among authors: lucena jr jr. J Mol Model. 2014 Sep;20(9):2393. doi: 10.1007/s00894-014-2393-3. Epub 2014 Aug 19. J Mol Model. 2014. PMID: 25135066

Matrix isolation infrared spectroscopic and theoretical study of 1,1,1-trifluoro-2-chloroethane (HCFC-133a).

Rodrigues GP, Lucena JR Jr, Ventura E, do Monte SA, Reva I, Fausto R. Rodrigues GP, et al. Among authors: lucena jr jr. J Chem Phys. 2013 Nov 28;139(20):204302. doi: 10.1063/1.4832376. J Chem Phys. 2013. PMID: 24289349

Matrix isolation FTIR spectroscopic and theoretical study of 3,3-dichloro-1,1,1-trifluoropropane (HCFC-243).

Lucena JR Jr, Sharma A, Reva ID, Araújo RM, Ventura E, do Monte SA, Braga CF, Ramos MN, Fausto R. Lucena JR Jr, et al. J Phys Chem A. 2008 Nov 20;112(46):11641-8. doi: 10.1021/jp807388a. Epub 2008 Oct 29. J Phys Chem A. 2008. PMID: 18959390

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