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Predicting bond dissociation energies of cyclic hypervalent halogen reagents using DFT calculations and graph attention network model

Yingbo Shao, Zhiyuan Ren, Zhihui Han, Li Chen, Yao Li and Xiao-Song Xue

Beilstein J. Org. Chem. 2024, 20, 1444–1452. https://doi.org/10.3762/bjoc.20.127

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Predicting bond dissociation energies of cyclic hypervalent halogen reagents using DFT calculations and graph attention network model

Yingbo Shao, Zhiyuan Ren, Zhihui Han, Li Chen, Yao Li and Xiao-Song Xue

Beilstein J. Org. Chem. 2024, 20, 1444–1452. https://doi.org/10.3762/bjoc.20.127

How to Cite

Shao, Y.; Ren, Z.; Han, Z.; Chen, L.; Li, Y.; Xue, X.-S. Beilstein J. Org. Chem. 2024, 20, 1444–1452. doi:10.3762/bjoc.20.127

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aromatic	the word “aromatic”
aromatic aldehyde	the word “aromatic” OR “aldehyde”
+aromatic +aldehyde	both words “aromatic” AND “aldehyde”
+aromatic -aldehyde	the word “aromatic” but NOT “aldehyde”
“aromatic aldehyde”	the exact phrase “aromatic aldehyde”
benz*	words which begin with “benz”, such as “benzene” or “benzyl”
benz*yl	words that begin with “benz” and end with “yl”, such as “benzyl” or “benzoyl”
benzyl~	words that are close to the word “benzyl”, such as “benzoyl” (i.e., fuzzy search)