NDLI: Model of a homochiral supramolecular string

Content Provider	Springer Nature Link
Author	Zlenko, D. V. Stovbun, S. V.
Copyright Year	2014
Abstract	The model of a homochiral string (from N-trifluoroacetyl-2-amino-3-methylpentanol-1 molecules) is based on experimental data molecular dynamics simulation results. The resulting model string is a hollow stable helix with characteristics consistent with the available experimental data. It is shown that the main contribution to the formation of the string comes from the dispersion interaction (∼0.5 eV) of the homochiral molecules in complementary stacks. In this case, neighboring molecular dipoles are anticollinear, whereas the string is antiferroelectric.
Starting Page	613
Ending Page	619
Page Count	7
File Format	PDF
ISSN	19907931
Journal	Russian Journal of Physical Chemistry B
Volume Number	8
Issue Number	5
e-ISSN	19907923
Language	English
Publisher	Pleiades Publishing
Publisher Date	2014-11-05
Publisher Place	Moscow
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	gelation elementary string molecular model percolation threshold Physical Chemistry
Content Type	Text
Resource Type	Article
Subject	Physical and Theoretical Chemistry

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Model of a homochiral supramolecular string