Inner-phase reaction dynamics: The influence of hemicarcerand polarizability and shape on the potential energy surface of an inner-phase reaction

Keyphrases

• Transition State 100%
• Hemicarcerands 100%
• Potential Energy Surface 100%
• Phase Reaction 100%
• Reaction Dynamics 100%
• Polarizability 100%
• Diazirine 80%
• Ortho 60%
• Linker Group 40%
• Phase Transition State 40%
• Vibrational Degree of Freedom 40%
• Electron-rich 20%
• Linker 20%
• Aryl 20%
• Organic Solvents 20%
• Spectroscopic Properties 20%
• Bulk Phase 20%
• Thermal Decomposition 20%
• Excitation Energy 20%
• Bulk Solvent 20%
• Dispersion Interaction 20%
• UV-Vis Spectra 20%
• Induced-fit Model 20%
• Center-to-center Distance 20%
• Spiro 20%
• C-N Bond 20%
• Cavitands 20%
• Force Field Calculations 20%
• Activation Parameters 20%
• Solvent Cage 20%
• Solvent Polarizability 20%

Chemistry

• Potential Energy Surface 100%
• Reaction Dynamics 100%
• Transition State 100%
• Polarizability 100%
• Diazirine 57%
• Red 28%
• UV/VIS Spectroscopy 14%
• Pyrolysis 14%
• Cavitand 14%
• Chlordiazepoxide 14%
• Absorption Spectra 14%
• Pentobarbital 14%

Material Science

• Surface Energy 100%
• Organic Solvents 50%
• Absorption Spectra 50%