Efficient methods for finding transition states in chemical reactions: Comparison of improved dimer method and partitioned rational function optimization method
Work
Year: 2005
Type: article
Abstract: A combination of interpolation methods and local saddle-point search algorithms is probably the most efficient way of finding transition states in chemical reactions. Interpolation methods such as the... more
Source: The Journal of Chemical Physics
Institutions Hamburg University of Technology, Universität Hamburg, University of California, Berkeley
Cites: 29
Cited by: 838
Related to: 10
FWCI: 3.428
Citation percentile (by year/subfield): 97.09
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Sustainable Development Goal Affordable and clean energy
Open Access status: bronze