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A density functional theory study of hydrogen recombination and hydrogen-deuterium exchange on Ga/H-ZSM-5

✍ Scribed by Nick O. Gonzales; Arup K. Chakraborty; Alexis T. Bell


Book ID
110385291
Publisher
Springer
Year
1999
Tongue
English
Weight
100 KB
Volume
9
Category
Article
ISSN
1022-5528

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Time-dependent density functional theory
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## Abstract The geometric structures and infrared (IR) spectra in the electronically excited state of a novel doubly hydrogen‐bonded complex formed by fluorenone and alcohols, which has been observed by IR spectra in experimental study, are investigated by the time‐dependent density functional theo