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Applications

  • Stavros C. Farantos
Chapter
Part of the SpringerBriefs in Molecular Science book series (BRIEFSMOLECULAR)

Abstract

Results from the application of nonlinear mechanics to interpret spectra and dynamics of small and large molecules are presented. Specifically, a vibrational quantum mechanical study for hydrogen hypochlorite with calculated vibrational energy levels up to dissociation are analysed by periodic orbits. A cascade of center-saddle bifurcations of periodic orbits follows the dissociation pathway of the molecule on the ground electronic state. The photodissociation of nitrous oxide on an electronically excited state is investigated by quantum mechanical calculations and nonlinear mechanical analysis. Periodic orbits of alanine dipeptide as well as of the active site of cytochrome c oxidase are employed to understand experimental spectra of such molecular species.

Keywords

Periodic Orbit Normal Form Stable Periodic Orbit Alanine Dipeptide Periodic Orbit Family 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© The Author(s) 2014

Authors and Affiliations

  1. 1.Department of ChemistryUniversity of CreteIraklionGreece
  2. 2.Institute of Electronic Structure and LaserFoundation for Research and Technology-HellasIraklionGreece

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