Spectroscopic Characterization and DFT Calculations on 1H-benzimidazole-2-carboxylic acid monohydrate Molecule

After first determining the optimized geometry of the 1H-benzimidazole-2-carboxylic acid monohydrate (1HBCM) molecule using the B3LYP/6-311+ + G (d, p) basis set, we investigated the spectroscopic properties, electronic properties and optical band gap of the molecule. We presented the fitted values...

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Bibliographic Details

Published in:	Sakarya Üniversitesi Fen Bilimleri Enstitüsü Dergisi
Main Authors:	Songül Çifçi, Mustafa Kurt, Emine Babur Şaş
Format:	Article
Language:	English
Published:	Sakarya University 2022-10-01
Subjects:	ft-raman ft–ir optical band gap dft mep.
Online Access:	https://dergipark.org.tr/tr/download/article-file/2361592