Particular attention is given to computational methods based on multi-scale simulations that allow to rationalize the relative contribution of the dispersion forces involved in the self-assembled networks observed with scanning tunneling microscopy.
But that reasoning allowed politicians to rationalize deficits under many circumstances and over long periods, Dr. Buchanan contended.
I once thought that adult life would leave me too busy for procrastination, but what I've realized is that growing older has only allowed me to rationalize it as part of my process.
Notably, gas mass transfer issues were identified, which allowed us to rationalize previous observations.
X-ray crystallographic data for the adduct of several such sulfonamides with CA II allowed us to rationalize the good inhibition data.
The new analysis has allowed us to rationalize computational, solution-state, and solid-state results on cross-linked oligonucleotides directly relevant to the cis- NH3 2Pt adducis- NH3 2Ptes.
Molecular docking studies were carried out for some of the tested compounds within the hCA II active site, allowed us to rationalize the obtained inhibition results.
Finally, the computational results allowed us to rationalize the enantiomeric excess of 1,4-disubstituted arenes and the regioselectivity of the dihydroxylation of fluorobenzene.
In addition, the topological analysis of the electron density provided by the Atom-in-Molecules, AIM, theory has allowed us to rationalize the stable conformers on the basis of bond critical points and ring critical points featuring intramolecular contacts.
Sequence alignments of all known Tetrahymena metallothioneins have allowed us to rationalize the structure of these proteins.
