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Mostrando ítems 61-70 de 2031
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)
Conformational analysis, stereoelectronic interactions and NMR properties of 2-fluorobicyclo[2.2.1]heptan-7-ols
(Beilstein-institutFrankfurt Am MainAlemanha, 2012)
3D hydrogen-bonded network built from copper(II) complexes of 1,3-propanediamine
(Soc Brasileira Quimica, 2006-11-01)
The reaction of Cu(NO3)(2).3H(2)O with 1,3-propanediamine (pn), in the presence of NaN3, afforded a 1:1 co-crystal formed by [Cu(NO3)(2)(pn)(2)] and [Cu(N-3)(NO3)(pn)(2)] (1 and 2), which were characterized by elemental ...
3D hydrogen-bonded network built from copper(II) complexes of 1,3-propanediamine
(Soc Brasileira Quimica, 2006-11-01)
The reaction of Cu(NO3)(2).3H(2)O with 1,3-propanediamine (pn), in the presence of NaN3, afforded a 1:1 co-crystal formed by [Cu(NO3)(2)(pn)(2)] and [Cu(N-3)(NO3)(pn)(2)] (1 and 2), which were characterized by elemental ...
Role of the distal hydrogen-bonding network in regulating oxygen affinity in the truncated hemoglobin III from campylobacter jejuni
(American Chemical Society, 2011-05)
Oxygen affinity in heme-containing proteins is determined by a number of factors, such as the nature and conformation of the distal residues that stabilize the heme bound-oxygen via hydrogen-bonding interactions. The ...
Hydrogen-Bonded Rosettes of Aminotriazines for Selective-Ion Recognition
(American Chemical Society, 2019-11)
Ion recognition is still an emerging topic in supramolecular chemistry and has aroused great attention in the last few years. In this work, we have examined the assemblies of selected hexameric rosettes of melamine and ...
A search for C-H···O type hydrogen bonds in Lamivudine (3TC). An exploratory conformational and electronic analysis
(Elsevier Science, 2001-06-22)
A conformational study of the molecule Lamivudine (3TC), or cis-1-[2′-hydroxymethyl-5′-(1,3-oxathiolanyl)] cytosine, was carried out. Rotation about the C-N bond (φ1) and about the C-CH2(OH) bond (φ2), which connects the ...
Simulation of hydrogen trapping at defects in Pd
(Pergamon-Elsevier Science Ltd, 2009-05-16)
The interaction of hydrogen with defects in palladium was studied using qualitative electronic structure calculations in the framework of the Atom Superposition and Electron Delocalization Molecular Orbital (ASED-MO) theory. ...
A theoretical investigation of the dictating forces in small amino acid conformational preferences: The case of glycine, sarcosine and N,N-dimethylglycine
(Elsevier Science BvAmsterdamHolanda, 2013)