Computational approaches and sigma-hole interactions: general discussion.
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DOI: 10.1039/c7fd90061a
Abstract: Anthony Legon opened the discussion of the Introductory Lecture by Timothy Clark: In your lecture, you mentioned some ab initio calculations carried out on the weakly bound complex formed between argon and Br2, which you… read more here.
Keywords: geometry; sigma hole; hole interactions; approaches sigma ... See more keywords