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Geometrical ambiguity of pair statistics: Point configurations

✍ Scribed by Jiao, Y.; Stillinger, F. H.; Torquato, S.


Book ID
118738076
Publisher
The American Physical Society
Year
2010
Tongue
English
Weight
393 KB
Volume
81
Category
Article
ISSN
1063-651X

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πŸ“œ SIMILAR VOLUMES


Impact of lone pairs on the conformation
✍ C. V. Prasad; K. Sundaram πŸ“‚ Article πŸ“… 1981 πŸ› John Wiley and Sons 🌐 English βš– 366 KB

## Abstract Nonbonded interaction energies have been calculated for various conformations of the diester giving explicit consideration to the lone‐pair electrons. As suspected from an earlier calculation on the dipeptide, such inclusion of the lone‐pair effect leads to significant differences in th