Open AccessCalculation of pKa, BDE and IP of 4-hydroxy-3- (1-phenylpropyl)-2H-chromen-2-one (HPCO). 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one(HOCO) and 4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylpropyl)-2H-pyran-2-one (HPPO) by DFT method
Publication year - 2020
Publication title -
journal of environmental sciences, computer science and engineering and technology
Language(s) - English
Resource type - Journals
ISSN - 2278-179X
DOI - 10.24214/jecet.c.9.4.58796
Subject(s) - chemistry , catalysis , medicinal chemistry , stereochemistry , computational chemistry , combinatorial chemistry , organic chemistry