DFT and CBS Study of Ethyl Acetate Conformers in the Neutral Hydrolysis

Chemistry

• Density Functional Theory 100%
• Ethyl Acetate 100%
• Conformational Isomer 100%
• Enzymatic Hydrolysis 100%
• Reaction Activation Energy 50%
• First Principle 25%
• Transition State 25%
• Kinetic Study 25%
• Ground State 25%
• Ethyl 25%
• Fluoroacetate 25%
• Ethyl Formate 25%

Keyphrases

• Ethyl Acetate 100%
• Neutral Hydrolysis 100%
• Activation Energy 50%
• Conformational Effect 50%
• Density Functional Theory 25%
• Transition State 25%
• First-principles Calculations 25%
• Ethyl 25%
• Setting Method 25%
• Ground State Geometry 25%
• Diffuse Functions 25%
• Ethyl Formate 25%
• Fluoroacetate 25%
• Polarization Function 25%
• Reaction Kinetic Study 25%
• Complete Basis Set 25%

Engineering

• Activation Energy 100%
• Conformers 100%
• Discrete Fourier Transform 100%
• Kinetic Study 50%
• Set Method 50%
• Ground State 50%