id	author	title	date	pages	extension	mime	words	sentence	flesch	summary	cache	txt
bibechana-58684	Limbu, Susmita; Ojha, Tulsi; Ghimire, Rishi Ram; Rai, Krishna Bahadur	An investigation of vibrational analysis, thermodynamics properties and electronic properties of Formaldehyde and its stretch by substituent acetone, acetyl chloride and methyl acetate using first principles analysis	2024	14	.pdf	application/pdf	6662	369	54	Property Energy (eV) values of different molecules Formaldehyde Acetone Acetyl Chloride Methyl Acetate Global Hardness (η) 2.972165 3.140605 2.806855 0.274002 Chemical potential (µ) -2.972165 Figures 10(a), (b), (c) and (d) show the three-dimensional plot of the HOMO–LUMO of Formaldehyde, Ace- tone, Acetyl Chloride and Methyl Acetate molecules using the DFT with B3LYP/6-311+G(d ′ ,p ′ ) basis set.	cache/bibechana-58684.pdf	txt/bibechana-58684.txt