Evaluation of various DFT protocols for computing1H and 13C chemical shifts to distinguish stereoisomers: Diastereomeric 2-, 3-, and 4-methylcyclohexanols as a test set

Keith W. Wiitala, Ziyad F. Al-Rashid, Vadims Dvornikovs, Thomas R. Hoye, Christopher J. Cramer

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Physics & Astronomy

Chemical Compounds