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Computer generation and theoretical study of alicyclic caged structures without small-size cycles
Authors:A. V. Evtushenko  M. S. Molchanova  B. B. Smirnov  V. A. Shlyapochnikov
Affiliation:(1) N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 47 Leninsky prosp., 117913 Moscow, Russian Federation
Abstract:
Computer design was concocted for a series of caged alicyclic structures without small cycles. With the help of molecular-mechanical calculations, the enthalpies of formation and the strain energies were determined for the corresponding compounds. The possibility of tile existence of highly strained frameworks without small cycles was analyzed.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 10, pp. 2430–2437, October, 1996.
Keywords:caged structures  molecular mechanics  enthalpy of formation  strain energy
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