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Substituent effects on enthalpies of formation of nitrogen heterocycles: 2-substituted benzimidazoles and related compounds.
Infantes L, Mó O, Yáñez M, Roux MV, Jiménez P, Dávalos JZ, Temprado M, Ribeiro da Silva MA, Ribeiro da Silva Md, Amaral LM, Cabildo P, Claramunt R, Elguero J. Infantes L, et al. Among authors: ribeiro da silva ma, ribeiro da silva md. J Phys Chem A. 2006 Feb 23;110(7):2535-44. doi: 10.1021/jp055954w. J Phys Chem A. 2006. PMID: 16480315
Computational thermochemistry of six ureas, imidazolidin-2-one, N,N'-trimethyleneurea, benzimidazolinone, parabanic acid, barbital (5,5'-diethylbarbituric acid), and 3,4,4'-trichlorocarbanilide, with an extension to related compounds.
Dávalos JZ, Ribeiro da Silva Md, Ribeiro da Silva MA, Freitas VL, Jiménez P, Roux MV, Cabildo P, Claramunt RM, Elguero J. Dávalos JZ, et al. Among authors: ribeiro da silva ma, ribeiro da silva md. J Phys Chem A. 2010 Sep 2;114(34):9237-45. doi: 10.1021/jp103514f. J Phys Chem A. 2010. PMID: 20681553
Energetics of C-Cl, C-Br, and C-I bonds in haloacetic acids: enthalpies of formation of XCH2COOH (X=CI, Br, I) compounds and the carboxymethyl radical.
Lagoa AL, Diogo HP, Dias MP, Minas da Piedade ME, Amaral LM, Ribeiro da Silva MA, Martinho Simões JA, Guedes RC, Costa Cabral BJ, Schwarz K, Epple M. Lagoa AL, et al. Among authors: ribeiro da silva ma. Chemistry. 2001 Jan 19;7(2):483-9. doi: 10.1002/1521-3765(20010119)7:2<483::aid-chem483>3.0.co;2-a. Chemistry. 2001. PMID: 11271535
37 results