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- W1973017826 abstract "Different properties of small carbon clusters, Cn, with n=6–9 were calculated using recently developed model functions for carbon. Limitations of these potential functions in predicting various characteristics of small clusters were delineated and calculated. The values for energies, structure and harmonic frequencies were compared with reported values from high level calculations. Results indicate that these model functions are able to predict the general trend and produce some consistent values for energy- and structure-related properties. However, some fine tuning for these functions is recommended if more quantitative results are desired." @default.
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- W1973017826 date "1991-10-01" @default.
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- W1973017826 title "Model functions for carbon in calculating properties of small clusters" @default.
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- W1973017826 doi "https://doi.org/10.1016/0009-2614(91)80154-p" @default.
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