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- W828014315 abstract "All-electron B3LYP harmonic frequencies of Ge2H5 and Ge2H6 are computed for several choices of grid and using both the Becke and the Stratmann, Scuseria, and Frisch atomic partition functions (weight scheme). For large grids, the results are independent of the weighting scheme. The lowest frequency mode is much more stable with respect to the number of grid points when the Stratmann, Scuseria, and Frisch weights are used." @default.
- W828014315 created "2016-06-24" @default.
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- W828014315 date "1999-01-01" @default.
- W828014315 modified "2023-09-27" @default.
- W828014315 title "The Effect of the Weight Scheme on DFT Vibrational Frequencies" @default.
- W828014315 hasPublicationYear "1999" @default.
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