Odd-even effects in the homologous series of alkyl-cyanobiphenyl liquid crystals: A molecular dynamic study
Küçük Resim Yok
Tarih
2007
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Wiley
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
For the first five members of the homologous series of 4-n-alkyl-4'-cyanobiphenyls in the nematic and isotropic phases, molecular dynamics (MD) simulations were performed by using a united atom model. An odd-even effect was seen to be found in the molecular length, width, biaxiality, and inertia tensor anisotropy with the length of alkyl chain. The distributions of the molecular length, width, and inertia tensor anisotropy were presented. The orientational distributions of the last C-C bonds in the alkyl chain were also evaluated for nematic and isotropic phases. (c) 2007 Wiley Periodicals, Inc.
Açıklama
Anahtar Kelimeler
odd-even effect, nematic, molecular dynamics
Kaynak
Journal of Computational Chemistry
WoS Q Değeri
Q1
Scopus Q Değeri
Q1
Cilt
28
Sayı
13
