Computer-Aided Mechanism Elucidation of Acetylene Hydrocarboxylation to Acrylic Acid Based on a Novel Union of Empirical and Formal Methods
- 1 July 1997
- journal article
- research article
- Published by American Chemical Society (ACS) in Organometallics
- Vol. 16 (14) , 3114-3127
- https://doi.org/10.1021/om9700270
Abstract
No abstract availableKeywords
This publication has 19 references indexed in Scilit:
- Computer-aided studies of reaction mechanismsRussian Chemical Reviews, 1996
- Progress in hydroformylation and carbonylationJournal of Molecular Catalysis A: Chemical, 1995
- The generation of reaction networks with RAIN. 1. The reaction generatorJournal of Chemical Information and Computer Sciences, 1991
- The generation of reaction networks with RAIN. 2. Resonance structures and tautomerismTetrahedron Computer Methodology, 1990
- Organic Synthesis in the Age of ComputersAngewandte Chemie International Edition in English, 1990
- Computer-assisted SynthesisRussian Chemical Reviews, 1987
- Computer-assisted mechanistic evaluation of organic reactions. 1. OverviewThe Journal of Organic Chemistry, 1980
- Catalytic ReactionsPublished by Springer Nature ,1980
- Enthalpies of formation and solution of macrocyclic and noncyclic tetraaza ligands. Origins of the enthalpy term in the macrocyclic effectJournal of the American Chemical Society, 1979
- Oxidations of hydroaromatic systems. II. 2,3-Dichloro-5,6-dicyanobenzoquinoneJournal of the American Chemical Society, 1972