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- W77095645 abstract "Molecular orbital calculations are performed using effective core potential basis sets and both conventional and Density Functional theory to determine the barrier for internal rotation in hydrogen diselenide and hydrogen ditelluride. It is found that the Density Functional method used gives MP4 quality results for much less computational cost." @default.
- W77095645 created "2016-06-24" @default.
- W77095645 creator A5038784656 @default.
- W77095645 date "2001-11-01" @default.
- W77095645 modified "2023-09-28" @default.
- W77095645 title "The Barrier to Internal Rotation in Hse and Hte: A Difficult Case for Theory and Experiment" @default.
- W77095645 hasPublicationYear "2001" @default.
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