Abstract
Abstract The importance of orbital concepts in experimental chemistry is stressed in connection with interpreting the nature of chemical reaction paths. The outstanding role of particular orbital interactions is recognized in various elaborate theoretical calculations. Mathematical formulation of the “intrinsic reaction coordinate” is decisively helpful in a quantitative, nonempirical understanding of the characteristic feature of reaction paths and also provides applications to “reaction ergodography” and to the calculation of absolute rates.
Keywords
Chemical reactionReaction coordinateConnection (principal bundle)Path (computing)Computational chemistryChemistryTheoretical physicsStatistical physicsPhysicsComputer scienceMathematicsGeometryOrganic chemistry
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Publication Info
- Year
- 1979
- Type
- article
- Volume
- 98
- Issue
- 3
- Pages
- 75-78
- Citations
- 18
- Access
- Closed
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Cite This
Ken–ichi Fukui
(1979).
Nature of the chemical reaction path.
Recueil des Travaux Chimiques des Pays-Bas
, 98
(3)
, 75-78.
https://doi.org/10.1002/recl.19790980306
Identifiers
- DOI
- 10.1002/recl.19790980306