The total atomization energies for BeH and BeH2 have been calculated using the Feller-Peterson-Dixon approach to better than ±1 kcal/mol. The calculations are based on CCSD(T) all electron calculations extrapolated to the complete limit and CCSDT and CCSDTQ corrections are included. A scalar relativistic correction and a diagonal Born-Oppenheimer correction are included. Accurate zero point energies are used. The total atomization energies at 0K are 47.7 kcal/mol for BeH and 140.0 kcal/mol for BeH2 with error bars of at most ±0.3 kcal/mol.
This research output has an Altmetric Attention Score of 1. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 04 February 2017.
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#20,400,885
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#6,038
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#356,534
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Outputs of similar age from Journal of Chemical Theory and Computation
#101
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