Ab initio thermochemistry of some halogenated cyclopropanes.
The standard enthalpies of formation for a series of chloro- and fluoro-substituted cyclopropanes have been calculated by using high-level ab initio G3/B3LYP methods. The relative stabilities of isomers and the influence of substituents on thermochemistry in several classes of substituted derivatives are discussed.
Department of Chemistry, National University of Singapore, Singapore 117543, Singapore. chmigorn@nus.edu.sg
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