scientific article; zbMATH DE number 841192
zbMATH Open0848.65048MaRDI QIDQ4863361FDOQ4863361
Authors: A. T. Phillips, V. H. Walke, J. B. Rosen 
Publication date: 7 March 1996
Title of this publication is not available (Why is that?)
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homopolymershydrocarbonsconvex global underestimationconvex quadratic, global underestimator methodmolecular structure determinationmolecule's potential functionstable molecular conformations
Numerical mathematical programming methods (65K05) Applications of mathematical programming (90C90) Nonconvex programming, global optimization (90C26) Statistical mechanics of polymers (82D60)
Cited In (9)
- Double variable neighbourhood search with smoothing for the molecular distance geometry problem
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- Hyperbolic smoothing and penalty techniques applied to molecular structure determination
- Molecular conformation of \(n\)-alkanes using terrain/funneling methods
- The discretizable molecular distance geometry problem
- Analytic evaluation of the gradient and Hessian of molecular potential energy functions
- Extrapolation methods for improving the convergence of oligomer calculations to the infinite chain limit of quasi-one-dimensional stereoregular polymers.
- A Branch‐and‐Prune algorithm for the Molecular Distance Geometry Problem
- Challenges of continuous global optimization in molecular structure prediction
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