The state of oxygen on the surface of polycrystalline silver |
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| Authors: | V. I. Bukhtiyarov A. I. Boronin M. P. Oschepkova V. I. Savchenko |
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| Affiliation: | (1) Institute of Colloid and Water Chemistry, 252142 Kiev, USSR |
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| Abstract: | Data obtained using the nonempirical SCF MO LCAO method in STO-3G/3-21G basis show that to interpret the experimental adsorption heats on Al2O3, it is unnecessary to apply the concept of the existence of charged Al–O+ and Al(OH)2+ centers.
                        3-21  / -3  ,       Al2O3       AlO+, Al(OH)2+ .
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