Order and Conformation of Biphenyl in Cyanobiphenyl Liquid Crystals: A Combined Atomistic Molecular Dynamics and1H NMR Study

Single Molecule Studies on Dynamics in Liquid Crystals

(2013) Daniela Täuber et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

An atomistic description of the nematic and smectic phases of 4-n-octyl-4′ cyanobiphenyl (8CB)

(2013) Mattia Felice Palermo et al.   JOURNAL OF CHEMICAL PHYSICS

Predicting the Anchoring of Liquid Crystals at a Solid Surface: 5-Cyanobiphenyl on Cristobalite and Glassy Silica Surfaces of Increasing Roughness

(2013) Otello Maria Roscioni et al.   LANGMUIR

Smectic order parameters via liquid crystal NMR spectroscopy: Application to a partial bilayer smectic A phase

(2012) Maria Enrica Di Pietro et al.   EUROPEAN PHYSICAL JOURNAL E

Efficient analysis of highly complex nuclear magnetic resonance spectra of flexible solutes in ordered liquids by using molecular dynamics

(2012) Adrian C. J. Weber et al.   JOURNAL OF CHEMICAL PHYSICS

Atomistic simulations of liquid crystal mixtures of alkoxy substituted phenylpyrimidines 2PhP and PhP14

(2012) Fangyong Yan et al.   JOURNAL OF CHEMICAL PHYSICS

Conformational Distribution of trans-Stilbene in Solution Investigated by Liquid Crystal NMR Spectroscopy and Compared with in Vacuo Theoretical Predictions

(2012) Giorgio Celebre et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Alignment of Small Organic Solutes in a Nematic Solvent: The Effect of Electrostatic Interactions

(2012) A. Pizzirusso et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Derivation of Coarse Grained Models for Multiscale Simulation of Liquid Crystalline Phase Transitions

(2012) Biswaroop Mukherjee et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular dynamics and EPR spectroscopic studies of 8CB liquid crystal

(2012) F. Chami et al.   Soft Matter

Separation of nematic and smectic-A potential effects on solute ordering in a series of binary 6OCB–8OCB mixtures

(2011) E. Elliott Burnell et al.   CANADIAN JOURNAL OF CHEMISTRY

An Atomistic Simulation for 4-Cyano-4′-pentylbiphenyl and Its Homologue with a Reoptimized Force Field

(2011) Jianguo Zhang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Rigid probe solutes in a smectic-Aliquid crystal: An unconventional route to the latter's positional order parameters

(2011) Maria Enrica Di Pietro et al.   PHYSICAL REVIEW E

An all atom computer simulation study of the liquid crystalline phase behaviour of alkenic fluoroterphenyls

(2011) Fangyong Yan et al.   Soft Matter

Predicting surface anchoring: molecular organization across a thin film of 5CB liquid crystal on silicon

(2011) A. Pizzirusso et al.   Chemical Science

An atomistic simulation of the liquid-crystalline phases of sexithiophene

(2010) A. Pizzirusso et al.   JOURNAL OF MATERIALS CHEMISTRY

Exploiting the information content of dipolar couplings: determination of the temperature dependence of the inter-ring twist angle of biphenyl dissolved in uniaxial mesophases

(2010) G. Celebre et al.   LIQUID CRYSTALS

Evolutionary algorithms to solve complicated NMR spectra

(2009) W. Leo Meerts et al.   JOURNAL OF CHEMICAL PHYSICS

Orientational Mechanisms in Liquid Crystalline Systems. 1. A Reaction Field Analytical Description of the Interaction between the Electric Quadrupole Moment of a Probe Solute and the Electric Field Gradient of a Nematic Solvent

(2009) Giorgio Celebre et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Orientational Mechanisms in Liquid Crystalline Systems. 2. The Contribution to Solute Ordering from the Reaction Field Interaction between the Solute Electric Quadrupole Moment and the Solvent Electric Field Gradient

(2009) Giorgio Celebre et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Computational study through atomistic potentials of a partial bilayer liquid crystal: structure and dynamics

(2009) Luca De Gaetani et al.   Soft Matter

Towardsin SilicoLiquid Crystals. Realistic Transition Temperatures and Physical Properties forn-Cyanobiphenyls via Molecular Dynamics Simulations

(2008) Giustiniano Tiberio et al.   CHEMPHYSCHEM

Solvent smectic order parameters from solute nematic order parameters

(2008) Giorgio Celebre et al.   JOURNAL OF CHEMICAL PHYSICS

Torsional Barriers and Equilibrium Angle of Biphenyl: Reconciling Theory with Experiment

(2008) Mikael P. Johansson et al.   Journal of Chemical Theory and Computation

Simple experimental assessment of smectic translational order parameters

(2008) Nadia Kapernaum et al.   PHYSICAL REVIEW E

Torsion sensitivity in NMR of aligned molecules: study on various substituted biphenyls

(2007) Aleksandr B. Sahakyan et al.   MAGNETIC RESONANCE IN CHEMISTRY