Fundamental vibrational frequencies and dominant resonances in methylamine isotopologues by ab initio and density functional theory methods

Keyphrases

• Density Functional Theory 100%
• Isotopologues 100%
• Methylamine 100%
• Fundamental Vibrational Frequencies 100%
• Fundamental Frequency 66%
• Experimental Values 33%
• Density Functional Calculations 33%
• Deuteration 33%
• Hybrid Functional 33%
• CCSD(T) 33%
• Cc-pVTZ 33%
• Coupled Cluster 33%
• Cluster Approximation 33%
• Harmonic Correction 33%
• Harmonic Calculation 33%

Chemistry

• Density Functional Theory 100%
• Vibrational Frequency 100%
• Methylamine 100%
• CCSD 25%
• Coupled Cluster 25%

Material Science

• Density 100%