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Mostrando ítems 141-150 de 605
Synthesis, spectroscopic characterization, DFT studies, and antibacterial and antitumor activities of a novel water soluble Pd(II) complex with L-alliin
(Elsevier Science BvAmsterdamHolanda, 2013)
Conformational preferences and orbital interactions for methyl haloacetates
(Pergamon-elsevier Science LtdOxfordInglaterra, 2006)
Conformational. preferences for N,N-dimethyl-2-haloacetamides (halo= F, Cl, Br and I) through theoretical and experimental studies: An unexpected orbital interaction
(Elsevier Science BvAmsterdamHolanda, 2005)
Ground-state energy for confined H2: a variational approach
(2018-05-01)
Ground-state energies for confined H2 molecule are computed using the variational method. The approach proposed here uses a molecular wave function of the valence bond type, written as the sum of the covalent term and the ...
Molecular physicochemical parameters predicting antioxidant activity of Brazilian natural products
(Sociedade Brasileira de Farmacognosia, 2009)
Reactive oxygen species (ROS) are capable of oxidizing cellular proteins, nucleic acids and lipids, contributing to cellular aging, mutagenesis, carcinogenesis, coronary heart and neurodegenerative diseases. Free ...
MAGNETOOPTICAL PROPERTIES OF F-2(+) CENTER IN KCL-SH-
(Akademie Verlag Gmbh, 1993-04-01)
The magnetic circular dichroism (MCD) of F2+ centers in KCl:SH- has been measured in absorption in the 1ssigma(g) --> 2p(y)pi(u) transitions at 493 and 509 nm, with fields up to 5 T and in the temperature range 1.5 K < T ...
CLOPPA analysis of the molecular polarizability and the energy of strong intramolecular hydrogen bonds: Resonance assisted?
(American Chemical Society, 2012-11)
The contributions from localized orbitals within the polarization propagator approach (CLOPPA) method is applied to investigate the influence of the π system on the polarizability of the intramolecular hydrogen bond of ...
Are hydrogen bonds responsible for glycine conformational preferences?
(Elsevier Science BvAmsterdamHolanda, 2011)
Chemical, spectroscopic characterization, DFT studies and initial pharmacological assays of a silver(I) complex with N-acetyl-L-cysteine
(Pergamon-elsevier Science LtdOxfordInglaterra, 2011)