The geometry of chemical reactivity
Vol. 114 No. 3 (2018), Chemical Research
Vol. 114 No. 3 (2018)

The geometry of chemical reactivity

Chemical Research
Published 2018-09-10
Fabio Revuelta Peña
Grupo de Sistemas Complejos - Dpto. Ing. Agroforestal Escuela Técnica Superior de Ingeniería Agronómica, Alimentaria y de Biosistemas Universidad Politecnica de Madrid Avda. Complutense, s/n28040 Madrid (Spain)Instituto de Ciencias Matemáticas (ICMAT) C/ Nicolás Cabrera, nº 13-1528049 Cantoblanco, Madrid (Spain)
Rosa María Benito
Florentino Borondo
Universidad Autónoma de Madrid
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Keywords

Transition State Theory, Reactivity, Reaction Rate, Normally Hyperbolic Invariant Manifolds.
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Abstract

Sophisticated mathematical techniques, borrowed from Celestial Mechanics, have recently improved Transition State Theory, completely eliminating the so-called recrossing problem by recasting the theory in the right geometrical setting.

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Copyright (c) 2018 Fabio Revuelta Peña, Rosa María Benito, Florentino Borondo