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• W2163680844 abstract "Koga and Thakkar's reoptimized (9s5p) and (12s7p) Gaussian basis sets for the atoms Li to Ne are contracted to [4s2p] and [7s4p], respectively, and their (4s) and (6s) sets for H and He are contracted to [2s] and [4s], respectively. The basis sets are tested by performing self-cosistent-field (SCF) geometry optimizations on LiH, BeH2, B2H6, CH4, NH3, H2O, and HF. The equilibrium geometries of hydrogen peroxide and hydrazine are determined at both the SCF and fourth-order many-body perturbation theory level. © 1993 John Wiley & Sons, Inc." @default.
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• W2163680844 date "1993-03-13" @default.
• W2163680844 modified "2023-10-16" @default.
• W2163680844 title "Double and quadruple zeta contracted Gaussian basis sets for hydrogen through neon" @default.
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• W2163680844 doi "https://doi.org/10.1002/qua.560480835" @default.
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