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Determining Absolute Configuration in Flexible Molecules: A Case Study

✍ Scribed by Specht, Kimberly Musa; Nam, Joonwoo; Ho, Douglas M.; Berova, Nina; Kondru, Rama K.; Beratan, David N.; Wipf, Peter; Pascal,, Robert A.; Kahne, Daniel


Book ID
118137214
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
87 KB
Volume
123
Category
Article
ISSN
0002-7863

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In this exploratory study, the methods of molecular dynamics and Brownian dynamics have been used to investigate the dynamics of ring formation in a simple, idealised, flexible molecule. Particular attention has been paid to the formation and persistence of the bond responsible for ring closure. The