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Zeitschrift für Physikalische Chemie

International journal of research in physical chemistry and chemical physics

Editor-in-Chief: Rademann, Klaus

12 Issues per year


IMPACT FACTOR 2017: 1.144
5-year IMPACT FACTOR: 1.144

CiteScore 2017: 1.08

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2196-7156
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Volume 216, Issue 2

Issues

Barrier Trees of Degenerate Landscapes

Christoph Flamm / Ivo L. Hofacker / Peter F. Stadler / Michael T. Wolfinger
Published Online: 2008-04-21 | DOI: https://doi.org/10.1524/zpch.2002.216.2.155

The heights of energy barriers separating two (macro-)states are useful for estimating transition frequencies. In non-degenerate landscapes the decomposition of a landscape into basins surrounding local minima connected by saddle points is straightforward and yields a useful definition of macro-states. In this work we develop a rigorous concept of barrier trees for degenerate landscapes. We present a program that efficiently computes such barrier trees, and apply it to two well known examples of landscapes.

About the article

Published Online: 2008-04-21

Published in Print: 2002-02-01


Citation Information: Zeitschrift für Physikalische Chemie, Volume 216, Issue 2, Pages 155–, ISSN (Online) 2196-7156, ISSN (Print) 0942-9352, DOI: https://doi.org/10.1524/zpch.2002.216.2.155.

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