Add to ORKGWOS: 000229403800040The molecular dynamics (MD) simulations at various temperatures have been performed for the 4-alkyl-4'-cyanobiphenyls (nCB) with three alkyl groups, pentyl (5CB), heptyl (7CB), and octyl (8CB), in the nematic and isotropic phases. The rotational diffusion coefficient (RDC) was determined by using simulated second and fourth rank order parameters (OPs) and correlation time. The rotational viscosity coefficient (RVC) was computed by the Nemtsov-Zakharov and Fialkowski methods based on statistical mechanical approaches. Temperature and size dependence of the simulated RDC, RVC and OPs have been discussed. Reasonable aggreement between the simulated and experimental values was found. (c) 2005 Elsevier B.V. All rights reserve...
Several dynamic properties of the 4-n-alkyl-4'-cyanobiphenyls series (nCB) with n = 5, 6, 7, 8 have ...
Atomistic molecular dynamics (MD) simulations of 4-n-pentyl 4'-cyano-biphenyl (5CB) have been perfor...
This study describes the molecular dynamics (MD) simulations of the 4-n-alkyl-4'-cyanobiphenyl (nCB,...
The molecular dynamics (MD) simulations at various temperatures have been performed for the 4-alkyl-...
The molecular dynamics (MD) simulations at various temperatures have been performed for the 4-alkyl-...
Using a united atom model, we performed molecular dynamics (MD) simulations on the 4- n -alkyl- 4' -...
WOS: 000238693800060PubMed ID: 16906853Using a united atom model, we performed molecular dynamics (M...
Using a united atom model, we performed molecular dynamics (MD) simulations on the 4-n-alkyl-4 '-cya...
Using a united atom model, we performed molecular dynamics (MD) simulations on the 4-n-alkyl-4 '-cya...
Equilibrium molecular dynamics calculations have been performed for the liquid crystal molecule n-4-...
Equilibrium molecular dynamics calculations have been performed for the liquid crystal molecule n-4-...
Equilibrium molecular dynamics calculations have been performed for the liquid crystal molecule n-4-...
WOS: 000295537500026The molecular dynamics (MD) simulations, based on a realistic atom-atom interact...
The molecular dynamics (MD) simulation, based on a realistic atom-atom interaction potential, was p...
Oscillating plate and rotational viscosity measurements are reported for a series of liquid crystals...
Several dynamic properties of the 4-n-alkyl-4'-cyanobiphenyls series (nCB) with n = 5, 6, 7, 8 have ...
Atomistic molecular dynamics (MD) simulations of 4-n-pentyl 4'-cyano-biphenyl (5CB) have been perfor...
This study describes the molecular dynamics (MD) simulations of the 4-n-alkyl-4'-cyanobiphenyl (nCB,...
The molecular dynamics (MD) simulations at various temperatures have been performed for the 4-alkyl-...
The molecular dynamics (MD) simulations at various temperatures have been performed for the 4-alkyl-...
Using a united atom model, we performed molecular dynamics (MD) simulations on the 4- n -alkyl- 4' -...
WOS: 000238693800060PubMed ID: 16906853Using a united atom model, we performed molecular dynamics (M...
Using a united atom model, we performed molecular dynamics (MD) simulations on the 4-n-alkyl-4 '-cya...
Using a united atom model, we performed molecular dynamics (MD) simulations on the 4-n-alkyl-4 '-cya...
Equilibrium molecular dynamics calculations have been performed for the liquid crystal molecule n-4-...
Equilibrium molecular dynamics calculations have been performed for the liquid crystal molecule n-4-...
Equilibrium molecular dynamics calculations have been performed for the liquid crystal molecule n-4-...
WOS: 000295537500026The molecular dynamics (MD) simulations, based on a realistic atom-atom interact...
The molecular dynamics (MD) simulation, based on a realistic atom-atom interaction potential, was p...
Oscillating plate and rotational viscosity measurements are reported for a series of liquid crystals...
Several dynamic properties of the 4-n-alkyl-4'-cyanobiphenyls series (nCB) with n = 5, 6, 7, 8 have ...
Atomistic molecular dynamics (MD) simulations of 4-n-pentyl 4'-cyano-biphenyl (5CB) have been perfor...
This study describes the molecular dynamics (MD) simulations of the 4-n-alkyl-4'-cyanobiphenyl (nCB,...