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Published in 2021 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-021-05012-8
Abstract: Three types noncovalent interactions (type I, II and III) between pyrazine (C4H4N2) and XF (X = F, Cl, Br, and I) have been discovered at the MP2/aug-cc-pVTZ level. TypeI is σ-hole interaction between the positive site on…
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Keywords:
type iii;
three types;
pyrazine;
interaction ... See more keywords