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- W2951655888 abstract "Abstract Self-consistent-field (SCF) calculations and configuration interaction calculations including single and double substitutions (CISD) using one-component quasi-relativistic ab initio pseudopotentials were performed for selected dihalides and trihalides of the rare earth elements. The results are compared with earlier theoretical investigations and with available experimental data. The experimentally observed trends in bond lengths, bond angles and atomization energies are well reproduced. Estimates are given for experimentally unknown data." @default.
- W2951655888 created "2019-06-27" @default.
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- W2951655888 date "2010-08-22" @default.
- W2951655888 modified "2023-09-25" @default.
- W2951655888 title "ChemInform Abstract: Pseudopotential Study on Rare Earth Dihalides and Trihalides" @default.
- W2951655888 cites W2071697364 @default.
- W2951655888 doi "https://doi.org/10.1002/chin.199150001" @default.
- W2951655888 hasPublicationYear "2010" @default.
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