Structural, kinetic, and thermodynamic characterization of the interconverting isomers of MS-325, a gadolinium(III)-based magnetic resonance angiography co... The amphiphilic gadolinium complex MS-325 ((trisodium-{(2-(R)-[(4,4-diphenylcyclohexyl) phosphonooxymethyl] diethylenetriaminepentaacetato) (...
The C3H3NO family of isomers is relevant in astrochemistry, even though its members are still elusive in the interstellar medium. To identify the best candidate for astronomical detection within this family, we developed a new computational protocol based on the minimum-energy principle. This appro...
We report calculated elastic integral (ICS) and differential (DCS) cross sections for positron collisions with C3H6 isomers, propene and cyclopropane. The ICSs computations were performed with the Schwinger multichannel method, at the static plus polarization level of approximation from 0.001 up to 8...
Total cross-sections (TCSs) for electron scattering of C3H6 isomers (C3H6 and c-C3H6) have been calculated at 10 - 300 eV employing the modified additivity rule. The approach for the TCSs of C3H6 isomeric molecules is simple, and it yields better accord with experiments in the present ene...