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

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

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

Conformational statistics of n-butane in the condensed phase and the effects of temperature

(2011) Adrian C.J. Weber et al.   CHEMICAL PHYSICS LETTERS

Nuclear magnetic resonance study of alkane conformational statistics

(2011) E. Elliott Burnell et al.   JOURNAL OF CHEMICAL PHYSICS

Detection of Phase Biaxiality in Liquid Crystals by Use of the Quadrupole Shift inXe131NMR Spectra

(2011) Jukka P. Jokisaari et al.   PHYSICAL REVIEW LETTERS

Does supramolecular ordering influence exciton transport in conjugated systems? Insight from atomistic simulations

(2011) Theodoros A. Papadopoulos et al.   Chemical Science

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

(2011) A. Pizzirusso et al.   Chemical Science

The butane condensed matter conformational problem

(2010) Adrian C.J. Weber et al.   CHEMICAL PHYSICS LETTERS

Scope and Limitations of Accurate Structure Determination of Solutes Dissolved in Liquid Crystals

(2010) Cornelis A. de Lange et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Evolutionary algorithms to solve complicated NMR spectra

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

Analysis of the FTIR spectrum of pyrazine using evolutionary algorithms

(2009) Michael Schmitt et al.   JOURNAL OF MOLECULAR SPECTROSCOPY

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

Tunneling Splittings in the S0and S1States of the Benzoic Acid Dimer Determined by High-Resolution UV Spectroscopy

(2008) Ivo Kalkman et al.   CHEMPHYSCHEM

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

(2008) Giustiniano Tiberio et al.   CHEMPHYSCHEM