Calculation of Raman Optical Activity Spectra of Methyl-β-d-Glucose Incorporating a Full Molecular Dynamics Simulation of Hydration Effects
Author:
Affiliation:
1. Gaussian, Inc., 340 Quinnipiac Street Building no. 40, Wallingford, Connecticut, United States
Publisher
American Chemical Society (ACS)
Subject
Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis
Link
https://pubs.acs.org/doi/pdf/10.1021/ja110825z
Reference45 articles.
1. Raman scattering of circularly polarized light by optically active molecules
2. INFRARED AND RAMAN VIBRATIONAL OPTICAL ACTIVITY: Theoretical and Experimental Aspects
3. Hug, W.InHandbook of Vibrational Spectroscopy;Chalmers, J.M. Griffiths, P. R.,Eds.John Wiley & Sons:Chichester, Great Britain, 2002; Vol.1, p745.
4. Theoretical approaches to the calculation of Raman optical activity spectra
5. New applications and challenges for computational ROA spectroscopy
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