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Host-guest interactions between xanthones and water: the role of O-H center dot center dot center dot O, C-H center dot center dot center dot O, and pi center dot center dot center dot pi contacts in the channel- and cage-type frameworks
(SPRINGER/PLENUM PUBLISHERSNEW YORK, 2012)
In this article were studied two xanthone derivatives known as 1,5-dihydroxy-8-methoxyxanthone (I) and 1,3,7-trihydroxy-8-methoxyxanthone (II), which show one water molecule into their crystal structures. In xanthone I, ...
Near-threshold properties of the electronic density of layered quantum dots
(American Physical Society, 2012-04)
We present a way to manipulate an electron trapped in a layered quantum dot based on near-threshold properties of one-body potentials. First, we show that potentials with a simple global parameter allow the manipulation ...
C-H center dot center dot center dot O and N-H center dot center dot center dot O hydrogen bonds in liquid amides investigated by Monte Carlo simulation
(Wiley-Blackwell, 1997-12-05)
Monte Carlo simulations of liquid formamide, N-methylformamide (MF), and N,N-dimethylformamide (DMF) have been performed in the isothermal and isobaric ensemble at 298 K and 1 atm, aiming to investigate the C-H ... O and ...
C-H center dot center dot center dot O and N-H center dot center dot center dot O hydrogen bonds in liquid amides investigated by Monte Carlo simulation
(Wiley-Blackwell, 1997-12-05)
Monte Carlo simulations of liquid formamide, N-methylformamide (MF), and N,N-dimethylformamide (DMF) have been performed in the isothermal and isobaric ensemble at 298 K and 1 atm, aiming to investigate the C-H ... O and ...
Influence of OH center dot center dot center dot N and NH center dot center dot center dot O inter- and intramolecular hydrogen bonds in the conformational equilibrium of some 1,3-disubstituted cyclohexanes through NMR spectroscopy and theoretical calculations
(Pergamon-elsevier Science LtdOxfordInglaterra, 2011)
Computational evidence for intramolecular hydrogen bonding and nonbonding X center dot center dot center dot O interactions in 2 '-haloflavonols
(Beilstein-institutFrankfurt Am MainAlemanha, 2012)