Transition states and rearrangement mechanisms from hybrid eigenvector-following and density functional theory. Application to C10H10 and defect migration in crystalline silicon

By Y. Kumeda, David J. Wales, Lindsey J. Munro. 2001

133 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Electrical and Electronic Engineering, Geophysics

View Paper: https://www.semanticscholar.org/paper/a24310ccbda3ab78d466f665a439763d7172f102