Causality, Computational Chemistry, Models, Organic Chemistry, Reaction Mechanisms, Thermodynamics

Submerged Reaction Energy Barriers

March 24, 2021 — 1 Comment

Chemistry, Computational Chemistry, Inorganic Chemistry, NBO, Paper, Publications, Reaction Mechanisms

Aurides Chemistry – New Paper in Organometallics

November 17, 2020 — 0 Comments

Computational Chemistry, Gaussian, Reaction Mechanisms, Theoretical Chemistry, Thermodynamics, White papers

Useful Thermochemistry from Gaussian Calculations

August 7, 2019 — 1 Comment

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