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Molecular Structures and Conformations of PolyphosphazenesA Study Based on Density Functional Calculations of Oligomers

โœ Scribed by Sun, Huai


Book ID
120370539
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
160 KB
Volume
119
Category
Article
ISSN
0002-7863

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The molecular rearrangement of benzofuroxan was studied by comparing calculated and experimental IR spectra, the latter taken before and ลฝ . during the reaction. All calculations were performed at the B3-LYPr6แސ31G d density functional level with a further refinement of the computed force constants ลฝ