Browsing by Subject "HF and DFT calculations"
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(2009)Stretching frequencies of acyl groups of stabilized triphenyl phosphonium ylides with ester, keto or cyano groups depend in part on the orientations of the acyl groups, syn or anti, with respect to phosphorus. Frequencies ...
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(Elsevier, 2009)For stabilized triphenylphosphonium keto ester ylides acyl stretching frequencies of the anti ester group from HF/6-31G(d) calculations fit experimental values with Scale Factor, SF = 0.866, as estimated earlier for the ...