| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5378993 | Chemical Physics Letters | 2016 | 23 Pages |
Abstract
Relationship between (a) the linear correlation coefficients (R2); (b) root-mean-square deviation (RMSD) and the computational cost (CPU time) at different QM levels (with the ADZ basis set) for 51 trialanine conformations with reference to the DF-LCCSD(T)/CBS results.87
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Authors
Yongxiu Li, Saiqun Zhang, John Z.H. Zhang, Xiao He,