A New Step towards "Computational Experiments"
Scientists develop the most advanced computer model to-date of the scattering of polarized light from chiral molecules
07-Oct-2011 -
An international research team has described the first calculations of Raman optical activity (ROA) spectra using coupled-cluster theory – one of the most reliable quantum chemical methods available. ROA is a valuable tool for the structural characterization of a wide range of molecules, ...
biomolecules
chirality
computer simulations
+3