Computational thermochemistry: Scale factor databases and scale factors for vibrational frequencies obtained from electronic model chemistries

Chemical Compounds

• Thermochemistry 71%
• Zero Point Energy 61%
• Vibrational Frequency 58%
• Error 45%
• Chemistry 35%
• Coupled Cluster Theory 20%
• Wave Function 17%
• Orbital 12%
• Density Functional Theory 9%

Engineering & Materials Science

• Thermochemistry 100%
• Vibrational spectra 96%
• Correlation methods 48%
• Density functional theory 30%
• Wave functions 28%
• Mean square error 18%
• Costs 7%

Physics & Astronomy

• thermochemistry 86%
• chemistry 52%
• electronics 31%
• zero point energy 19%
• functionals 9%
• bone mineral content 7%
• scaling 7%
• harmonics 6%
• root-mean-square errors 6%
• unity 4%
• derivation 4%
• wave functions 3%
• density functional theory 3%
• costs 3%
• orbitals 3%
• optimization 3%
• predictions 2%
• excitation 2%