Infrared and Raman Spectroscopy from Ab Initio Molecular Dynamics and Static Normal Mode Analysis: The C-H Region of DMSO as a Case Study

Sean A. Fischer, Tyler W. Ueltschi, Patrick Z. El-Khoury, Amanda L. Mifflin, Wayne P. Hess, Hong Fei Wang, Chris Cramer, Niranjan Govind

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26 Scopus citations

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Chemical Compounds

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Physics & Astronomy