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Density functional theory study on the structural and electronic properties of low index rutile surfaces for TiO2/SnO2/TiO2 and SnO2/TiO2/SnO2 composite systems
(Amer Chemical Soc, 2008-09-25)
The present study is concerned with the structural and electronic properties of the TiO2/SnO2/TiO2 and SnO2/TiO2/SnO2 composite systems. Periodic quantum mechanical method with density functional theory at the B3LYP level ...
Intraspecific variability of dihydrochalcone, chromenes and benzoic acid derivatives in leaves of Piper aduncum L. (Piperaceae)
(2009-05-18)
Chemical analysis carried out in leaves of 18 specimens of Piper aduncum L. (Piperaceae) occurring at Ripasa Reserve, Araraquara, SP, Brazil indicated two distinct populations when investigated over a period of 14 months ...
REACTIVITY OF[Mo(NHNPh2)(NNPh2)Br2(acac)] TOWARD-DI-IMINES: X-REY CRYSTAL STRUCTURE OF[Mo(NNPh2)2Br2(o-phen)]
(Sociedad Chilena de Química, 2002)
Gold(I) and Silver(I) complexes of diphosphacyclobutadiene cobaltate sandwich anions
(Wiley-VCH VerlagWeinheim, 2013-02)
The synthesis and structural characterization of the first coordination compounds of bis(diphosphacyclobutadiene) cobaltate anions [M(P2 C2 R2)2]- is described. Reactions of the new potassium salts [K(thf)3{CO(n4-P2C2tPent2)2}] ...
SYNTHESIS OF Pb2Fe2O5 BY THERMAL DECOMPOSITION OF Pb2[Fe(CN)6].4H2O
(Sociedad Chilena de Química, 2010)
Quantum chemical characterization of the CF2(OH)CF2OONO2 and CF3CF2OONO2 peroxynitrates and related radicals
(Elsevier, 2015-04)
We present a detailed study of the molecular conformations, vibrational spectra and thermochemistry of the CF2(OH)CF2OONO2 and CF3CF2OONO2 peroxynitrates. In addition, we studied the CF2(OH)CF2OO, CF2(OH)CF2O, CF3CF2OO and ...
Exploring antioxidant reactivity and molecular structure of phenols by means of two coupled assays using fluorescence probe (2,3-diazabicyclo[2.2.2]oct-2-ene, DBO) and free radical (2,2-diphenyl-1-picrylhydrazyl, DPPH )
(Indian Academy of Sciences, 2017)
Phenolic compounds can be considered as the most important bioactive compounds in Mediterranean diet. However, many of the complex connections between phenols antioxidant reactivity and their molecular structure remain ...
A new perfluorinated peroxynitrate, CF3CF2CF2CF2OONO2. Synthesis,characterization and atmospheric implications
(Elsevier Science, 2014-09)
CF3CF2CF2CF2OONO2was synthesized from the photolysis of CF3CF2CF2CF2I, in presence of NO2and O2.Alkyl peroxynitrates (CxF2x+1OONO2) could be formed in the atmospheric degradation of chlorofluorocar-bons, hydrofluorocarbons ...
2-nitro- and 2,4-dinitrobenzenesulfonamides as protecting groups for primary amines
(Georg Thieme Verlag Kg, 2001-07-01)
Procedures for the deprotection of the 2-nitro- and 2,4-dinitrobenzenesulfonamides to give the corresponding primary amines were developed. The 2-Nitrobenzenesulfonyl group was effectively removed by HSCH2CH2OH/DBU or ...