Transition pathways in complex systems: Application of the finite-temperature string method to the alanine dipeptide
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2013256
Reference22 articles.
1. String method for the study of rare events
2. Finite Temperature String Method for the Study of Rare Events
3. Nudged elastic band method for finding minimum energy paths of transitions
4. Conjugate peak refinement: an algorithm for finding reaction paths and accurate transition states in systems with many degrees of freedom
5. Ridge method for finding saddle points on potential energy surfaces
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