XIX. (I.A.3.) |
Index of Properties in the CCCBDB
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- Anharmonic Vibrational Frequency calculations
- Atom Charges
- Atomization Enthalpy
- Basis functions used for a calculation
- Barriers to Internal Rotation
- Bond Angles
- Bond Dihedrals
- Bond Lengths
- Cartesian coordinates
- Charges
- Degeneracy (Electronic state)
- Diagnostics from calculations
- Dipole moments
- Energy
- Enthalpy
- Entropy
- Geometries
- Calculated
- Comparisons
- Experiment
- Explanations
- Units
- Heat Capacity
- HOMO energies
- HOMO- LUMO gaps
- Hydrogen-Bonded systems
- Integrated Heat Capacity
- Internal Rotation
- Inertial Defect
- Ionization Energy
- Isodesmic Reactions
- Isomers
- Koopmans' Theorem Ionization Energies
- Moments of inertia
- Mulliken Charges
- Nuclear Repulsion Energy
- Point Group
- Polarizability
- Products of Moments of Inertia
- Quadrupole moments
- <r2>
- Reference States
- Rotational Constants
- Spin
- Spin splitting corrections
- Transition States
- Vibrational Frequencies
- Vibrational Intensities
- Vibrational Reduced Masses
- Vibrational Scaling factors
- Vibrational Zero-Point Energies
- Zero-Point Energies