Efficient methods for finding transition states in chemical reactions: comparison of improved dimer method and partitioned rational function optimization method.

By Andreas Heyden, A. Bell, F. Keil. Journal of Chemical Physics, 2005

874 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/c1c7d06be3e4540fafd7c7e16b2ec7366bb8405b

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In Atomic and Molecular Physics, and Optics

1. John R. Kitchin
2. Hari Thirumalai

In Materials Chemistry

1. John R. Kitchin
2. Hari Thirumalai

Citations in the corpus

• Investigating the Reactivity of Single Atom Alloys Using Density Functional Theory (2018, methodology): “This image was then used to obtain the actual transition state by implementing the improved dimer method [36].”