(Q57250513)

English

Evaluation of various DFT protocols for computing1H and13C chemical shifts to distinguish stereoisomers: diastereomeric 2-, 3-, and 4-methylcyclohexanols as a test set

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Evaluation of various DFT protocols for computing1H and13C chemical shifts to distinguish stereoisomers: diastereomeric 2-, 3-, and 4-methylcyclohexanols as a test set (English)
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Keith W. Wiitala
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Ziyad F. Al-Rashid
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Vadims Dvornikovs
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Thomas R. Hoye
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May 2007
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20
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345-354
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5
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