Title of article
Evaluation of the BeOH and MgOH hyperfine coupling tensors
Author/Authors
Fernلndez، نويسنده , , Berta، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1996
Pages
6
From page
635
To page
640
Abstract
The hyperfine coupling tensors of the ground states of the BeOH and the MgOH radicals have been evaluated using the multiconfigurational self consistent field restricted-unrestricted, coupled cluster singles and doubles and CCSD with triples corrections approaches. The structures were optimized at the CCSD(T) level. The calculated hyperfine coupling tensors agree well with the experimental data and support a linear BeOH.
Journal title
Chemical Physics Letters
Serial Year
1996
Journal title
Chemical Physics Letters
Record number
1778202
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