Synthesis, crystal structure, DFT, molecular dynamics simulation and evaluation of the anticorrosion performance of a new pyrazolotriazole derivative

Chemistry

• Crystal Structure 100%
• Density Functional Theory 100%
• Molecular dynamics simulation 100%
• Dielectric Spectroscopy 33%
• Density Functional Theory 16%
• Molecular Dynamics 16%
• DFT-B3LYP Calculation 16%
• Adsorption Isotherm 16%
• Hydrogen Chloride 16%
• Frontier Orbital 16%
• Carbon Steel 16%
• Acetyl 16%
• 1,2,4-Triazole 16%

Chemical Engineering

• Potentiodynamic Polarization 100%
• Adsorption Isotherm 50%
• Hydrochloric Acid 50%