Accurate reaction paths using a Hessian based predictor-corrector integrator.

By H. Hratchian, H. Schlegel. Journal of Chemical Physics, 2004

832 citations recorded by the source corpus.

Subfields: Materials Chemistry, Physical and Theoretical Chemistry, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/4bb5bc63ed41814ecb8c3248467967a03dc9b7bc