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• W2034202505 endingPage "260" @default.
• W2034202505 startingPage "249" @default.
• W2034202505 abstract "The ground-state geometries, scaled quantum mechanical (SQM) quadratic force field, and infrared and Raman intensities of p-difluorobenzene and p-fluorotoluene have been determined from density functional theory, using the B3-LYP hybrid functional and the 6-31G* basis set. Based on these calculations, one b2u mode of p-difluorobenzene is reassigned. Possible reassignments of a few other, less certain, experimental bands are proposed. ©1999 John Wiley & Sons, Inc. Int J Quant Chem 72: 249–260, 1999" @default.
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• W2034202505 date "1999-01-01" @default.
• W2034202505 modified "2023-10-17" @default.
• W2034202505 title "Scaled quantum mechanical study of vibrational force field for p-difluorobenzene and p-fluorotoluene" @default.
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• W2034202505 doi "https://doi.org/10.1002/(sici)1097-461x(1999)72:4<249::aid-qua7>3.0.co;2-g" @default.
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