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XIV. |
Reaction data
A. | User specified reaction at 0K. | ||
B. | User specified reaction at 298K. | ||
C. | Atomization enthalpies. | ||
D. | Atomization enthalpies at 298K. | ||
E. | Enthalpy of formation at semiempirical levels. | ||
F. | List of isomers | ||
G. | Compare Reaction Entropies at 298K | ||
H. | Isodesmic reaction product suggestions | ||
You enter reactants and this page suggests products to form an isodesmic reaction. | |||
1. | Newer isodesmic reaction suggestion page | ||
I. | Suggestions for species with well defined experimental enthalpies of formation | ||
J. | Binary decomposition search. Given "A" what are possible products "B" and "C" and their relative enthalpies. | ||
K. | Transition States | ||
1. | Enthalpies | ||
2. | Vibrational frequencies | ||
3. | Geometries | ||
4. | Raw Energies | ||
5. | Intrinsic Reaction Coordinate (IRC) |