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It has been suggested that satisfactory results on H-bonding interactions and in describing both structure and vibrational spectra at a correlated level may be obtained at the B3LYP/6-31+G(d,p) level of theory: Del Bene, J. E. Hydrogen Bonding 1, Encyclopedia of Computational Chemistry; John Wiley and Sons: New York, 1998; Vol. 2, p 1263.
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0343272722
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(a) For an excellent discussion of the controversy surrounding the Curtin-Hammett principle and its amendment of the original version by the IUPAC see ref 21b.
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45
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0342403136
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note
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TS/RT).
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