Two hitherto unused and different forms of the off-diagonal matrix elements have been used in the framework of the IOC-ω technique to calculate heats of formation of different types of compounds, and the results have been compared with some experimental values. Values based on the harmonic mean equation are generally in better agreement with experimental values.
V. K. Singh, D. K. Gupta and A. K. Srivastava, J. Chem. Soc., Faraday Trans. 2, 1986, 82, 1873 DOI: 10.1039/F29868201873
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