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A Monte Carlo method based on first- and second-order reliability approximations

✍ Scribed by T.J. Sweeting; A.F. Finn


Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
543 KB
Volume
11
Category
Article
ISSN
0167-4730

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coordination numher model (CNM) has been developed that reproduces coordination numbers generated by rigorous Monte Carlo simulations of dilute aqueous solutions. The molecular coordination number is calculated by using the volume of the Voronoi polyhedron surrounding each solute atom and a set of l