Computational Experience with a Parallel
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Kumar Rajan; Narsingh Deo
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Article
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1999
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Springer
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English
โ 195 KB
Determining molecular structure from interatomic distances is an important and challenging problem. Given a molecule with n atoms, lower and upper bounds on interatomic distances can usually be obtained only for a small subset of the n(n-1) 2 atom pairs, using NMR. Given the bounds so obtained on th