Mapping tool delivers quantitative visualisations of steric interactions

Structure

Source: © Eric Hénon/Université de Reims Champagne-Ardenne

Technique uncovers subtle interactions that previous methods have missed

Scientists have developed a computational method that quantifies and generates 3D maps of steric effects. The technique is more accurate than existing approaches and tests show it works across a wide range of cases, including atropoisomerism, coordination chemistry and organocatalysis enantioselectivity.