The performance of B3-LYP density functional theory in describing S_N2 reactions at saturated carbon

Keyphrases

• CH3Br 50%
• Chloromethane 50%
• Complexation Energy 50%
• Density Functional Theory 100%
• Gas Phase 50%
• Ion-molecule Complex 50%
• Reasonable Value 50%
• SN2 Reaction 100%
• Transition Structure 50%

Chemistry

• Complexation 50%
• Density Functional Theory 100%
• Point Group C3v 50%
• Point Group D3h 50%

Material Science

• Complexation 50%
• Density 100%