scholarly journals Molecular Dynamics Simulations of a Main-Chain Liquid Crystalline Polyether in the Crystalline State. 1. Chain Conformation and Dynamics of the Spacer Methylene Sequences

2006 ◽  
Vol 38 (9) ◽  
pp. 989-995
Author(s):  
Hiroyuki Ishida ◽  
Yasushi Maekawa ◽  
Fumitaka Horii ◽  
Takashi Yamamoto
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Crystalline State ◽  
Liquid Crystalline ◽  
Main Chain ◽  
Chain Conformation ◽  
Dynamics Simulations ◽  
State 1

Molecular Dynamics of Side Chain Liquid Crystalline Polysiloxanes

1996 ◽  
Vol 425 ◽  
Author(s):  
G. M. Podojil ◽  
B. L. Farmer ◽  
T. J. Bunning ◽  
R. Pachter ◽  
W. W. Adams
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Crystalline State ◽  
Liquid Crystalline ◽  
Side Chain ◽  
Flexible Spacer ◽  
Siloxane Oligomers ◽  
Dynamics Simulations ◽  
The Individual ◽  
Insight Into

AbstractMolecular dynamics simulations have been used to characterize the development and longevity of associations between cholesterol and biphenyl mesogens when attached to linear siloxane oligomers by flexible spacer groups. Single substituents, alternating substituents, and diblock and triblock arrangements of the substituents were considered. The backbone and spacer groups allow sufficient flexibility that long-lived associations between cholesterol mesogens form quite rapidly, as do more fluid associations between biphenyl and cholesterol mesogens. The study of the individual mesogen interactions and how these lead to larger scale aligned structures has provided insight into the nature of the liquid crystalline state in these materials.

Substrate induced freezing, melting and depinning transitions in two-dimensional liquid crystalline systems

2022 ◽  
Author(s):  
Bharti bharti ◽  
Debabrata Deb
Keyword(s):  
Molecular Dynamics ◽  
Liquid Crystals ◽  
Molecular Dynamics Simulations ◽  
Liquid Crystalline ◽  
Two Dimensional ◽  
One Dimensional ◽  
The One ◽  
Dynamics Simulations

We use molecular dynamics simulations to investigate the ordering phenomena in two-dimensional (2D) liquid crystals over the one-dimensional periodic substrate (1DPS). We have used Gay-Berne (GB) potential to model the...

The EcCLC antiporter embedded in the lipidic liquid crystalline films – molecular dynamics simulations and electrochemistry

2021 ◽  
Author(s):  
Przemysław Miszta ◽  
Ewa Nazaruk ◽  
Dorota Nieciecka ◽  
Mariusz Możajew ◽  
Pawel Krysinski ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Transport Properties ◽  
Liquid Crystalline ◽  
Cubic Phases ◽  
Crystalline Films ◽  
Dynamics Simulations

Lipidic-liquid crystalline nanostructures (lipidic cubic phases), which are biomimetic and stable in excess of water, were used as a convenient environment to investigate the transport properties of the membrane antiporter...

Geometry of OH⋯O interactions in the liquid state of linear alcohols from ab initio molecular dynamics simulations

2020 ◽  
Vol 22 (12) ◽  
pp. 6690-6697 ◽  
Author(s):  
Aman Jindal ◽  
Sukumaran Vasudevan
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Bonding ◽  
Ab Initio ◽  
Molecular Dynamics Simulations ◽  
Liquid State ◽  
Crystalline State ◽  
Md Simulations ◽  
Ab Initio Molecular Dynamics ◽  
Linear Alcohols ◽  
Dynamics Simulations

Hydrogen bonding OH···O geometries in the liquid state of linear alcohols, derived from ab initio MD simulations, show no change from methanol to pentanol, in contrast to that observed in their crystalline state.

Molecular Dynamics Simulations of Liquid Crystalline Order for Tetramers of p-Hydroxybenzoic Acid

1994 ◽  
Vol 98 (31) ◽  
pp. 7685-7691 ◽  
Author(s):  
Johannes Huth ◽  
Thomas Mosell ◽  
Kai Nicklas ◽  
Alla Sariban ◽  
Juergen Brickmann
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Liquid Crystalline ◽  
Hydroxybenzoic Acid ◽  
Crystalline Order ◽  
Dynamics Simulations
Sign in / Sign up

Export Citation Format

Share Document