Abstract
A method of constructing molecular models for layered aluminosilicate crystals is put forward. The geometric and energetic characteristics of cluster models are calculated for the elementary kaolinite crystal layer using the MNDO approximation.
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References
G. V. Gibbs, Am. Miner., 67, No. 5/6, 421–450 (1982).
A. N. Lazarev, B. F. Shchegolev, M. B. Smirnov, and S. P. Dolin, Quantum Chemistry of Molecular Systems and Crystal Chemistry of Silicates [in Russian], Nauka, Leningrad (1988).
N. N. Il'chenko, A. G. Grebenyuk, L. G. Gorb, et al., Teor. Éksp. Khim., 25, No. 5, 581–586 (1989).
Yu. I. Tarasevich, Layered Silicate Surface Structure and Chemstry [in Russian], Naukova Dumka, Kiev (1988).
R. A. Yong and A. W. Hewat, Clays and Clay Miner., 36, No. 3, 225–232 (1988).
A. G. Grebenyuk, Yu. I. Gorlov, and A. A. Chuiko, Teor. Éksp. Khim., 4, No. 471–473, 91 (1991).
A. A. Chuiko, I. P. Beletskii, and Yu. I. Gorlov, Dokl. Akad. Nauk SSSR, 303, No. 5, 1192–1196 (1988).
V. A. Kireev, Practical Calculation Methods in Chemical Reaction Thermodynamics [in Russian], Khimiya, Moscow (1970).
V. M. Chermoshentsev, N. N. Bulgakov, Yu. A. Borisov, and L. G. Karakchiev, Kinet. Katal., 14, No. 3, 722–725 (1973).
W. F. Bleam and R. Hoffman, Phys. and Chem. Miner., 15, No. 4, 398–408 (1988).
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Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 29, No. 3, pp. 214–218, May–June, 1993.
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Grebenyuk, A.G., Gorlov, Y.I. & Chuiko, A.A. Quantum-chemical investigation into the geometric and energetic characteristics of kaolinite cluster models. Theor Exp Chem 29, 146–148 (1994). https://doi.org/10.1007/BF00531170
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DOI: https://doi.org/10.1007/BF00531170