QUANTUM-CHEMICAL STUDY OF THE OPTICAL PROPERTIES OF MGO SURFACE HYDROXY GROUPS

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QUANTUM-CHEMICAL STUDY OF THE OPTICAL PROPERTIES OF MGO SURFACE HYDROXY GROUPS. / Smirnov, E.P.; Tsyganenko, A.A.

In: Reaction Kinetics and Catalysis Letters, No. 3-4, 1984, p. 405-408.

Research output: Contribution to journal › Article

BibTeX

@article{bee5ea0545c44334990de96fa28ca686,

title = "QUANTUM-CHEMICAL STUDY OF THE OPTICAL PROPERTIES OF MGO SURFACE HYDROXY GROUPS",

abstract = "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. {\textcopyright} 1984 Akad{\'e}miai Kiad{\'o}.",

author = "E.P. Smirnov and A.A. Tsyganenko",

year = "1984",

language = "English",

pages = "405--408",

journal = "Reaction Kinetics, Mechanisms and Catalysis",

issn = "1878-5190",

publisher = "Springer Nature",

number = "3-4",

}

RIS

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