Результаты исследований: Научные публикации в периодических изданиях › статья
QUANTUM-CHEMICAL STUDY OF THE OPTICAL PROPERTIES OF MGO SURFACE HYDROXY GROUPS. / Smirnov, E.P.; Tsyganenko, A.A.
в: Reaction Kinetics and Catalysis Letters, № 3-4, 1984, стр. 405-408.Результаты исследований: Научные публикации в периодических изданиях › статья
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TY - JOUR
T1 - QUANTUM-CHEMICAL STUDY OF THE OPTICAL PROPERTIES OF MGO SURFACE HYDROXY GROUPS
AU - Smirnov, E.P.
AU - Tsyganenko, A.A.
PY - 1984
Y1 - 1984
N2 - Cluster models of MgO surface OH groups have been studied by the semi-empirical CNDO method. The calculated stretching vibration frequencies of OH bonds and localized electron excitation energies on the OH-groups are shown to depend on the oxygen atom coordination. © 1984 Akadémiai Kiadó.
AB - Cluster models of MgO surface OH groups have been studied by the semi-empirical CNDO method. The calculated stretching vibration frequencies of OH bonds and localized electron excitation energies on the OH-groups are shown to depend on the oxygen atom coordination. © 1984 Akadémiai Kiadó.
M3 - Article
SP - 405
EP - 408
JO - Reaction Kinetics, Mechanisms and Catalysis
JF - Reaction Kinetics, Mechanisms and Catalysis
SN - 1878-5190
IS - 3-4
ER -
ID: 5038136