Correlations between experimental and DFT(B3LYP)/6-31++G ** H-bonding parameters for closed X...H&unknown;O...H&unknown;N (X = N, O or S) H-bonded complexes

Author: Ramaekers R.   Houben L.   Adamowicz L.   Maes G.  

Publisher: Elsevier

ISSN: 0924-2031

Source: Vibrational Spectroscopy, Vol.32, Iss.2, 2003-09, pp. : 185-197

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