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- W2022368778 abstract "We present a method for estimating the core-correlation contribution to the binding energy of molecules without electronic structure calculations. The method is parametrized for molecules containing H, Li, Be, B, C, N, O, F, Al, Si, P, S, and Cl. This method can be used for the prediction and estimation and thermochemical properties of large molecules." @default.
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- W2022368778 title "Simple Approximation of Core-Correlation Effects on Binding Energies" @default.
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- W2022368778 doi "https://doi.org/10.1021/jp9901949" @default.
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