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- W2012361856 abstract "ABSTRACT Rotational barriers for the rotation of an N-aryl group were investigated via ab initio (Hartree-Fock) calculations in methaqualone, mecloqualone and 3-(2,6-difluorophenyl)-2-methyl-4(3H)-quinazolinone. It was found that the N1 atom acquires an sp3 character in conformations with high steric hindrance. The geometrical parameters of the molecules undergo small changes intended to alleviate the steric hindrance." @default.
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- W2012361856 date "2002-06-05" @default.
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- W2012361856 title "AB INITIO STUDIES OF HINDERED ARYL ROTATIONS OF METHAQUALONE, MECLOQUA LONE, AND 3-(2,6-DIFLUOROPHENYL)-2-METHYL-4(3H)-QUINAZOLINONE" @default.
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- W2012361856 doi "https://doi.org/10.1081/sl-120003811" @default.
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