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A theoretical study of methylphosphine CH3PH2 and selected isotopomers: vibrational analysis and infrared spectra

โœ Scribed by Hae-Won Kim; Daniel Zeroka

Book ID
114141595
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
203 KB
Volume
571
Category
Article
ISSN
0166-1280

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The normal-mode frequencies and the corresponding vibrational assignments of some isotopomers of isopropylamine are examined theoretically using the Gaussian 94 set of quantum chemistry codes at the MP2 level of theory using a 6-311g\*\* basis set. In particular deuteration of the NH hydrogen atoms