Computational Chemistry, DFT, Nature, NBO, Organic Chemistry, Paper, Reaction Mechanisms

Diasteroselective Grignard Reaction – New paper in Nature Communications

February 19, 2025 — 0 Comments

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, Gaussian, GaussView, Models, Research, Theoretical Chemistry, Tricks, White papers

The ‘art’ of finding Transition States Part 1

May 26, 2016 — 23 Comments

Alumni, Computational Chemistry, Theoretical Chemistry

Two more students graduated!

December 4, 2014 — 10 Comments