Additional Metadata
Keywords conformational changes, energy landscape exploration, Hessian matrix eigenvectors, molecular systems, transition state energies
Persistent URL dx.doi.org/10.1002/jcc.23408
Journal Journal of Computational Chemistry
Citation
Campañá, C. (Carlos), & Miller, R. E. (2013). Transiting the molecular potential energy surface along low energy pathways: The TRREAT algorithm. Journal of Computational Chemistry, 34(29), 2502–2513. doi:10.1002/jcc.23408