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Showing 1 to 2 of 2 for “"chiroptical response"”.
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Theoretical Simulations of Optical Rotation and Raman Optical Activity of Molecules in Solution
<p>Chiroptical spectroscopic techniques such as optical rotation (OR), electronic circular dichroism (ECD), and Raman optical activity (ROA) provide the means to probe molecular dissymmetry, which is the arrangement of atoms that is not superimposable on its mirror image. However, the application …
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Expanding the Toolkit for Optical Rotation Calculations: Development of Interpretive Models and Extension to Solid State Systems
… formed via a Cholesky decomposition of the response matrix. We tested these methods on two small organic molecules and confirmed that \st{} remained unchanged at a displaced origin. While further work is needed to develop associated electric and magnetic vectors for these origin invariant …