Theoretical studies of α-acetylenic alcohols rearrangement mechanism: Ab initio calculations of the unimolecular rate limiting step

1986/06/01 by Juán Andrés, J. Andrés, Estanislao Silla +2 · 5 citations
Chemistry · Engineering · #Ab initio #Ab initio quantum chemistry methods #Aqueous solution #Carbocation #Catalysis #Catalysis for Biomass Conversion #Chemistry #Computational chemistry #Intramolecular force #Limiting #Mechanism (biology) #Molecular Junctions and Nanostructures #Molecule #Organic Chemistry Cycloaddition Reactions #Organic chemistry #Photochemistry #Physical chemistry #Physics #Reaction mechanism #Stereochemistry #Transition state

paper · doi:10.1016/0166-1280(86)87021-x

published in Journal of Molecular Structure THEOCHEM 138(1-2), 171-177 (Elsevier BV)

crossref issued 1986/06/01 · crossref published 1986/06/01 · crossref published-print 1986/06/01 · openalex publication_date 1986/06/01 · crossref created 2002/07/25 · crossref deposited 2025/09/09 · openalex created_date 2025/10/10 · openalex updated_date 2026/06/22 · crossref indexed 2026/08/02

Citations

• Rupe and Meyer-Schuster rearrangements
• The mechanism of the Meyer-Schuster rearrangement
• Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules