Perspective on diabatic models of chemical reactivity as illustrated by the gas-phase S_N2 reaction of acetate ion with 1,2-dichloroethane

Engineering & Materials Science

• Chemical reactivity 100%
• Ions 59%
• Molecular orbitals 54%
• Solvation 51%
• Ground state 48%
• Wave functions 44%
• Gases 36%
• Free energy 25%
• Potential energy 23%
• Geometry 19%
• Chemical activation 19%
• Molecular mechanics 17%
• Electronic states 17%
• Electronic structure 15%
• Correlation methods 12%
• Enzymes 12%
• Activation energy 11%
• Substitution reactions 10%
• Molecules 10%
• Concretes 7%
• Composite materials 6%
• Water 5%
• Experiments 3%

Chemical Compounds

• 1,2-dichloroethane 73%
• Chemical Reactivity 67%
• Reaction Path 57%
• Acetate 45%
• Solvation 27%
• Ground State 25%
• Ion 25%
• Wave Function 25%
• Potential Energy 21%
• Molecular Orbital 19%
• Adiabatic Potential 16%
• Gibbs Free Energy 16%
• Electronic State 15%
• Haloalkane 15%
• Valence Bond Calculation 15%
• Rearrangement Reaction 13%
• Perturbation Theory 12%
• Nucleophilic Substitution 11%
• Molecular Mechanic 10%
• Energy 10%
• Valence 9%
• Ab Initio Calculation 9%
• Reaction Activation Energy 7%
• Catalysis 6%
• Gas 5%
• Composite Material 5%

Physics & Astronomy

• acetates 69%
• reactivity 64%
• vapor phases 51%
• valence 41%
• ions 29%
• solvation 23%
• molecular orbitals 21%
• configurations 19%
• wave functions 16%
• ground state 14%
• potential energy 12%
• geometry 12%
• free energy 11%
• activation 11%
• bone mineral content 10%
• products 9%
• hazards 7%
• enzymes 7%
• electronics 7%
• energy 6%
• perturbation theory 5%
• substitutes 5%
• electronic structure 5%
• activation energy 5%
• continuums 5%
• composite materials 4%
• shift 4%
• water 4%
• profiles 3%
• molecules 3%