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- W2013114743 abstract "Till now there has been no theoretical analysis on earth alkali metal complexes with any of the Gaussian-based approximation or density functional theory methods. We provide the results of our calculations on Mg2 thermochemical stability. The results of our CBS-Q, CBS-QB3, G2 calculations are presented. Basis set effects, geometrical deviations between wave function-based methods and density functional theory methods are all discussed." @default.
- W2013114743 created "2016-06-24" @default.
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- W2013114743 date "2002-08-01" @default.
- W2013114743 modified "2023-09-27" @default.
- W2013114743 title "A communication on Mg2 thermochemical stability" @default.
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- W2013114743 doi "https://doi.org/10.1016/s0166-1280(02)00147-1" @default.
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