Computational Chemistry, PCCP, Reaction Mechanisms, RSC, Theoretical Chemistry, Uncategorized

New paper in PCCP: CCl3 reduced to CH3 through σ-holes #CompChem

September 21, 2016 — 1 Comment

Computational Chemistry, Models, Software, Theoretical Chemistry, Tricks, Uncategorized, White papers

Quantifying σ-Holes – G09 and MultiWFN

February 16, 2016 — 12 Comments