A random walk to local minima and saddle points on a potential energy surface. A strategy based on simulated annealing
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference20 articles.
1. AB Initio Vibrational Force Fields
2. Geometrical derivatives of energy surfaces and molecular properties,1986
3. A survey of optimization procedures for stable structures and transition states
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