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Photophysical characteristics and density functional theory calculations of indole 2-carboxylic acid in the presence of mercurous ions

✍ Scribed by Medha Rele; Sudhir Kapoor; Shweta Hedge; Sergej Naumov; Tulsi Mukherjee


Book ID
111759857
Publisher
Springer Netherlands
Year
2006
Tongue
English
Weight
391 KB
Volume
32
Category
Article
ISSN
0922-6168

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## Abstract The potential energy profiles for the fragmentations that lead to [C~5~H~5~O]^+^ and [C~4~H~6~]^+β€’^ ions from the molecular ions [C~5~H~6~O]^+β€’^ of __E__‐2,4‐pentadienal were obtained from calculations at the UB3LYP/6‐311G + + (3df,3pd)//UB3LYP/6‐31G(d,p) level of theory. Kinetic barrie