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(Me3Si)3SiH-Mediated Intermolecular Radical Perfluoroalkylation Reactions of Olefins in Water
(Universidad de Belgrano - Facultad de Ciencias Exactas y Naturales - Proyectos de Investigación, 2010)
Perfluoroalkyl-substituted compounds are regarded as important components of fluorophors and for the introduction of fluorous tags into organic substrates. Their syntheses in organic solvents are achieved through different ...
Role of the medium on the C343 inter/intramolecular hydrogen bond interactions. An absorption, emission, and 1HNMR investigation of C343 in benzene/n-heptane mixtures
(American Chemical Society, 2010-07-21)
C343, a common molecular probe utilized in solvation dynamics experiments, was studied in homogeneous media. Absorption, emission, and 1HNMR spectroscopies were used to investigate the behavior of C343 in benzene and in ...
Interações intermoleculares e topologia molecular no empacotamento cristalino de 3-amino-4-halo-5-metilisoxazóis
(Universidade Federal de Santa MariaBRQuímicaUFSMPrograma de Pós-Graduação em Química, 2013-02-26)
In this work is described the intermolecular interactions and the molecular
topology present in the crystal packing of 3-amine-4-halo-5-methylisoxazoles. First
was described the obtention of the 3-amine-4-halo-5-methylisoxazoles ...
Monte Carlo investigations of intermolecular interactions in water-amide mixtures
(Elsevier B.V., 2006-02-14)
Monte Carlo simulations of water-amides (amide=fonnamide-FOR, methylfonnamide-NMF and dimethylformamide-DMF) solutions have been carried out in the NpT ensemble at 308 K and 1 atm. The structure and excess enthalpy of the ...
Monte Carlo investigations of intermolecular interactions in water-amide mixtures
(Elsevier B.V., 2006-02-14)
Monte Carlo simulations of water-amides (amide=fonnamide-FOR, methylfonnamide-NMF and dimethylformamide-DMF) solutions have been carried out in the NpT ensemble at 308 K and 1 atm. The structure and excess enthalpy of the ...
Interplay between dihydrogen and alkali–halogen bonds: Is there some covalency upon complexation of ternary systems?
(Brasil, 2012)
In this study, a theoretical investigation of traditional dihydrogen bonds and novel alkali–halogen bonds was performed in relation to the formation of NaH⋯HCF3 and NaH⋯HCCl3 binary and NaH⋯2(HCF3) and NaH⋯2(HCCl3) ternary ...
CLOPPA-IPPP analysis of electronic mechanisms of intermolecular 1hJ(A,H) and2hJ(A,D) spin-spin coupling constants in systems with D-H⋯A hydrogen bonds
(American Chemical Society, 2005-12)
The electronic origin of intermolecular 2hJ(A,D) and 1hJ(A,H) couplings is discussed by means of the CLOPPA-IPPP approach in several model complexes with D-H⋯A hydrogen bonds. It is found that the origin of these couplings ...