return to home page Computational Chemistry Comparison and Benchmark DataBase Release 18 (October 2016) Standard Reference Database 101 National Institute of Standards and Technology
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Reaction data


User specified reaction at 0K.
User specified reaction at 298K.
Atomization enthalpies.
Atomization enthalpies at 298K.
Enthalpy of formation at semiempirical levels.
List of isomers
Compare Reaction Entropies at 298K
Isodesmic reaction product suggestions You enter reactants and this page suggests products to form an isodesmic reaction.
Newer isodesmic reaction suggestion page
Suggestions for species with well defined experimental enthalpies of formation
Binary decomposition search. Given "A" what are possible products "B" and "C" and their relative enthalpies.

Transition States


Enthalpies
Vibrational frequencies
Geometries
Intrinsic Reaction Coordinate (IRC)