Benchmark Calculations for Bond Dissociation Enthalpies of Unsaturated Methyl Esters and the Bond Dissociation Enthalpies of Methyl Linolenate

Physics & Astronomy

• esters 70%
• enthalpy 55%
• dissociation 50%
• functionals 41%
• excitation 25%
• formates 24%
• hexenes 14%
• thermochemical properties 13%
• density functional theory 13%
• deviation 12%
• gradients 11%
• butanes 10%
• molecules 9%
• approximation 9%
• extrapolation 8%
• fragments 7%
• performance 3%

Chemical Compounds

• Methyl Linolenate 100%
• Dissociation Enthalpy 82%
• Coupled Cluster Theory 33%
• Methyl Formate 33%
• Molecular Cluster 32%
• Propene 20%
• Density Functional Theory 15%
• Butane 13%
• Biodiesel 13%
• Molecule 8%
• Ester 7%