In this mini-review, the rocky road of computational ROA, from a specialist novelty item to the front line of
computational chemistry, is outlined. Particular attention is paid to the computational studies of large molecular systems
and solvent effects, highlighting how computational ROA is becoming an important tool in structural biology and the
detailed analysis of biomacromolecules in solution.
Keywords: Computational chemistry, Raman optical activity, Polymers, Biomolecules, Conformational flexibility, Density
functional theory, Molecular dynamics, Explicit solvation.
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Published on: 31 March, 2013
Page: [140 - 150]