期刊
CHEMPHYSCHEM
卷 20, 期 15, 页码 1922-1930出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cphc.201900250
关键词
halogen bonds; interacting quantum atoms; quantum chemical topology; QTAIM; relative energy gradient
资金
- EPSRC [EP/K005472] Funding Source: Medline
- Sheikh Bahaei National High-Performance Computing Center [SBNHPCC] Funding Source: Medline
The Cover Feature shows how using the Relative Energy Gradient (REG) method along with the interacting quantum atoms (IQA) approach determines the physical origin of the directionality of halogen bonds. More information can be found in the Article by N. Orangi et al.
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