(272) S.A. Trygubenko - D.J. Wales, A doubly nudged elastic band method for finding transition states, J. Chem. Phys. 120, No.5, 2082-2094 (2004).

PDF

(273) J.M. Carr - S.A. Trygubenko - D.J. Wales, Finding pathways between distant local minima, J. Chem. Phys. 122 No.23, Art. No. 234903 (2005).

PDF

(274) R. Elber - M. Karplus, Reply to the paper by Stacho et al. "On the Elber-Karplus reaction path-following method and related procedures", Chem. Phys. Lett. 311 No.3-4, 335-340 (1999).

PDF

(275) I.V. Khavrutskii - R.H. Byrd - C.L. Brooks, A line integral reaction path approximation for large systems via nonlinear constrained optimization: Application to alanine dipeptide and the B hairpin of protein G, J. Chem. Phys., 124, No.19, art. no. 194903 (2006)

PDF