Justin Snyder

Mar 5, 2024 | scholarsarchive.byu.edu | Justin Snyder |Daniel H. Ess |Brigham Young

Keywordsminimum energy crossing point, organometallic reactions, software suiteDepartmentChemistry and BiochemistryAbstractComputational studies are critical to the field of organometallic chemistry since many highly reactive and unstable compounds cannot be isolated or observed experimentally. It is well-known that many organometallic reaction mechanisms involve spin intersystem crossing, e.g. singlet to triplet conversion.