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Approximate molecular electrostatic potential computations: applications to quantitative structure-activity relationships

✍ Scribed by Dmitry B. Kireev; Valery I. Fetisov; Nikolai S. Zefirov

Book ID
114142280
Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
570 KB
Volume
304
Category
Article
ISSN
0166-1280

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πŸ“œ SIMILAR VOLUMES

A finite element recovery approach to Gr
A finite element recovery approach to Green’s function approximations with applications to electrostatic potential computation
✍ Ying Yang; Aihui Zhou πŸ“‚ Article πŸ“… 2009 πŸ› Elsevier Science 🌐 English βš– 665 KB

In this paper, a finite element recovery approach is proposed to improve the accuracy of finite element approximations for Green's functions in three dimensions. This recovery approach is based on some simple postprocessing. It is proved by both theory and numerics that the recovery approach is very