Experimental and theoretical DFT (B3LYP, X3LYP, CAM-B3LYP and M06-2X) study on electronic structure, spectral features, hydrogen bonding and solvent effects of 4-methylthiadiazole-5-carboxylic acid
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Title
Experimental and theoretical DFT (B3LYP, X3LYP, CAM-B3LYP and M06-2X) study on electronic structure, spectral features, hydrogen bonding and solvent effects of 4-methylthiadiazole-5-carboxylic acid
Authors
Keywords
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Journal
MOLECULAR SIMULATION
Volume 45, Issue 13, Pages 1029-1043
Publisher
Informa UK Limited
Online
2019-06-17
DOI
10.1080/08927022.2019.1629434
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