Research output: Contribution to journal › Article › peer-review
The mutual influence of a liquid crystalline medium and chiral dopants of 1R,4R-n-mentane-3-one 2-arylidene derivatives dissolved in it. / El'ts, E. E.; Komolkin, A. V.; Kutulya, L. A.; Pivnenko, N. S.
In: Russian Journal of Physical Chemistry A, Vol. 81, No. 11, 01.11.2007, p. 1804-1809.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - The mutual influence of a liquid crystalline medium and chiral dopants of 1R,4R-n-mentane-3-one 2-arylidene derivatives dissolved in it
AU - El'ts, E. E.
AU - Komolkin, A. V.
AU - Kutulya, L. A.
AU - Pivnenko, N. S.
PY - 2007/11/1
Y1 - 2007/11/1
N2 - Molecular dynamics computer simulation and quantum chemistry methods were used to study the influence of nematic liquid crystalline 4-n-pentyl-4'- cyanobiphenyl on the conformations of chiral dopant molecules of 1R,4R-n-menthane-3-one 2-arylidene derivatives and the influence of these chiral dopants on the conformation of the liquid crystal. The simulation results are compared with the available experimental data.
AB - Molecular dynamics computer simulation and quantum chemistry methods were used to study the influence of nematic liquid crystalline 4-n-pentyl-4'- cyanobiphenyl on the conformations of chiral dopant molecules of 1R,4R-n-menthane-3-one 2-arylidene derivatives and the influence of these chiral dopants on the conformation of the liquid crystal. The simulation results are compared with the available experimental data.
UR - http://www.scopus.com/inward/record.url?scp=36048937291&partnerID=8YFLogxK
U2 - 10.1134/S0036024407110155
DO - 10.1134/S0036024407110155
M3 - Article
AN - SCOPUS:36048937291
VL - 81
SP - 1804
EP - 1809
JO - Russian Journal of Physical Chemistry A
JF - Russian Journal of Physical Chemistry A
SN - 0036-0244
IS - 11
ER -
ID: 51950912