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Published in 2017 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-017-3414-9
Abstract: AbstractIn respective water or ethanol polarizable continuum cavity environments, simultaneous aldol condensation was performed using density functional theory (DFT) computational method to model the synthesis of optically active (RS)-1,2,4-butanetriol trinitrate (BTTN). The results of reaction…
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Keywords:
optically active;
synthesis optically;
active butanetriol;
butanetriol trinitrate ... See more keywords