Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethylene

Journal of the American Chemical Society - Tập 105 Số 24 - Trang 7037-7047 - 1983
Péter Pulay1, Géza Fogarasi2, Gábor Pongor1, James E. Boggs1, A. Vargha3
1Eotvós L. University
2Eötvös Lóránd Tudományegyetem
3University of Texas at Austin#TAB#

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