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Quantum-Chemical Study of the Nature of Hydroxy Groups on an MgO Surface

Nurbosyn Ularbaevich Zhanpeisov 1
Nurbosyn Ularbaevich Zhanpeisov
, 
Alexandr Gennad'evich Pel'menshchikov 1
Alexandr Gennad'evich Pel'menshchikov
, 
Georgii Mikhailovich Zhidomirov 1
Georgii Mikhailovich Zhidomirov
10.1070/MC1992v002n04ABEH000177
Published 1992-12-31
Communication , Volume 2, Issue 4, 148-149
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Zhanpeisov N. U., Pel'menshchikov A. G., Zhidomirov G. M. Quantum-Chemical Study of the Nature of Hydroxy Groups on an MgO Surface // Mendeleev Communications. 1992. Vol. 2. No. 4. pp. 148-149.
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Zhanpeisov N. U., Pel'menshchikov A. G., Zhidomirov G. M. Quantum-Chemical Study of the Nature of Hydroxy Groups on an MgO Surface // Mendeleev Communications. 1992. Vol. 2. No. 4. pp. 148-149.
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TY - JOUR
DO - 10.1070/MC1992v002n04ABEH000177
UR - https://mendcomm.colab.ws/publications/10.1070/MC1992v002n04ABEH000177
TI - Quantum-Chemical Study of the Nature of Hydroxy Groups on an MgO Surface
T2 - Mendeleev Communications
AU - Zhanpeisov, Nurbosyn Ularbaevich
AU - Pel'menshchikov, Alexandr Gennad'evich
AU - Zhidomirov, Georgii Mikhailovich
PY - 1992
DA - 1992/12/31
PB - Mendeleev Communications
SP - 148-149
IS - 4
VL - 2
ER -
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@article{1992_Zhanpeisov,
author = {Nurbosyn Ularbaevich Zhanpeisov and Alexandr Gennad'evich Pel'menshchikov and Georgii Mikhailovich Zhidomirov},
title = {Quantum-Chemical Study of the Nature of Hydroxy Groups on an MgO Surface},
journal = {Mendeleev Communications},
year = {1992},
volume = {2},
publisher = {Mendeleev Communications},
month = {Dec},
url = {https://mendcomm.colab.ws/publications/10.1070/MC1992v002n04ABEH000177},
number = {4},
pages = {148--149},
doi = {10.1070/MC1992v002n04ABEH000177}
}
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Zhanpeisov, Nurbosyn Ularbaevich, et al. “Quantum-Chemical Study of the Nature of Hydroxy Groups on an MgO Surface.” Mendeleev Communications, vol. 2, no. 4, Dec. 1992, pp. 148-149. https://mendcomm.colab.ws/publications/10.1070/MC1992v002n04ABEH000177.

Abstract

It has been shown that the O—H stretching frequencies of six kinds of hydroxy groups on MgO and their local structures, calculated by a harmonic oscillator approach using the MINDO/3 method, are in good agreement with available experimental data; on the basis of the obtained theoretical results the nature of the surface OH-groups are discussed.

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