Unraveling the sequence of the electronic flow along the water-assisted ring-opening reaction in mutagen MX

Keyphrases

• 3(2H)-furanones 25%
• Activation Energy 25%
• Activation Mechanism 25%
• C-O Bond 25%
• Catastrophe 25%
• Catastrophe Theory 25%
• Chain Structure 25%
• Chemical Language 25%
• Chloro 25%
• Deactivation 25%
• Electron Localization Function 25%
• Electronic Perturbation 25%
• First Capture 25%
• Furanone 100%
• Hydronium 25%
• Intrinsic Reaction Coordinate 25%
• Mutagen X 25%
• Mutagens 100%
• Open Ring 25%
• Opening Process 25%
• Proton 50%
• Ring Opening 25%
• Ring Structure 25%
• Ring-opening Reaction 100%
• Six-membered 25%
• Stability Domain 25%
• Structural Stability 25%
• Structure Transfer 25%
• Tautomeric Forms 50%
• Transition Structure 50%
• Valence Shells 25%
• Water Molecule 50%
• Water-assisted 100%
• Water-assisted Process 25%

Chemistry

• Electron Localization 33%
• Furan 33%
• Hydrogen 33%
• Mutagen 100%
• Primary Structure 100%
• Reaction Activation Energy 33%
• Ring Opening Reaction 100%
• Structure 33%