On the catalytic effect of water in the intramolecular diels-alder reaction of quinone systems: A theoretical study

Compuestos químicos

• Diels-Alder Intramolecular Cycloaddition 73%
• Electrophilicity 69%
• Quinone 54%
• Solvation 48%
• Transition State 47%
• Free Energy of Activation 35%
• Density Functional Theory 35%
• Hydrogen Bond 34%
• Benzoquinone 33%
• Nucleophilicity 33%
• Potential Energy Surface 27%
• Polarity 23%
• Molecule 19%
• Energy 13%
• Reduction 13%

Física y astronomía

• Diels-Alder reactions 100%
• quinones 77%
• solvation 41%
• hydrogen bonds 39%
• water 32%
• density functional theory 29%
• molecules 20%
• reactivity 19%
• functionals 17%
• polarity 17%
• potential energy 16%
• free energy 15%
• activation 15%
• polarization 10%
• energy 5%

Medicina y ciencias biológicas

• Cycloaddition Reaction 95%
• quinone 69%
• Density Functional Theory 66%
• Theoretical Models 46%
• Hydrogen Bonding 46%
• Water 38%
• Alnus 31%
• Population 7%