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CNDO study of the properties of the OH group |
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| Authors: | E. P. Smirnov and A. A. Tsyganenko |
| Affiliation: | (1) Institute of Physics, State University, Leningrad, USSR |
| Abstract: | Using the CNDO method, a number of hydroxy-containing systems were calculated. The results are compared with IR spectroscopic data on the frequencies and acidity of surface OH groups and their dependence on the electronegativity of the atom to which the OH group is bonded.
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