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Quantum Chemical Scaling and Its Importance: The Infrared and Raman Spectra of 5-Bromouracil

✍ Scribed by Palafox, M. Alcolea; Talaya, Jéssica; Guerrero-Martínez, A.; Tardajos, G.; Kumar, Hitesh; Vats, J. K.; Rastogi, V. K.


Book ID
126540746
Publisher
Taylor and Francis Group
Year
2010
Tongue
English
Weight
387 KB
Volume
43
Category
Article
ISSN
0038-7010

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Infrared and Raman spectra in the gas phase are reported for trimethoxyborane, B(OCH 3 ) 3 , and its 13 C 3 and d 9 isotopomers. Some liquid phase Raman data were also obtained. Quantum-chemical (QC) studies of structure and force field have been made with B3LYP and MP2 models. These studies highlig