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Published in 2018 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2017.11.031
Abstract: Abstract The molecule 1,3-diphenylpyrazole-4-propionic acid (DPPA) was optimized to its minimum energy level using density functional theory (DFT) calculations. The vibrational frequencies of DPPA were calculated along with their potential energy distribution (PED) and the…
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Keywords:
reductase inhibitor;
reductase;
diphenylpyrazole propionic;
prostaglandin reductase ... See more keywords