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Orientation of ruthenium dipyridophenazine complexes in liposome membranes sensitively controlled by ligand substituents
Liposomes can be deformed to ellipsoidal shapes in a shear flow, and the orientation of chromophores in the lipid bilayers can then be examined with...
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Direct numerical simulation of the mechanism of surface tension auto-oscillation
A theoretical investigation of the surface tension auto-oscillations is performed by direct numerical simulation of the behaviour of a system where a...
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Phase behaviour of the 1-monooleoyl- rac-glycerol /n-octyl-β-D-glucoside/water system
Obtaining high-quality crystals for X-ray diffraction from membrane proteins has proven to be a difficult task. One recently presented method...
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Stabilisation of an amphoteric latex by hydration forces
The colloidal stability of an amphoteric polystyrene latex has been studied using a low-angle light scattering technique (nephelometry). Measurements...
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11. Integration of Modelling at Various Length and Time Scales
Materials modelling tools have become increasingly integrated in the R&D portfolio. The unique insights available through simulation of materials at...
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14. Multi-Grid Methods – An Introduction
The lecture will give an introductory overview on multi-grid methods. Multi-grid methods are fast solvers for algebraic equations derived from the...
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6. Symmetry Properties of Electronic and Photonic Band Structures
Group theoretical investigations have a huge potential to simplify calculations in solid state theory. We will discuss the application of group...
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8. Magnetism, Structure and Interactions at the Atomic Scale
An efficient scheme is developed to study magnetism and structure as well as interaction between supported particles on the atomic scale. Starting by...
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10. Computational Materials Science with Materials Studio $^{\rlap{\LARGE\(\circ\)}\,\hskip.5pt\raise3pt\hbox{\tiny\rm R}}\,$ : Applications in Catalysis
In this article, developments in the primary ab initio quantum mechanics codes (CASTEP and DMol3) to solve critical problems in materials design and...
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2. The Essentials of Density Functional Theory and the Full-Potential Local-Orbital Approach
Density functional theory for the ground state energy in its modern understanding which is free of representability problems or other logical...
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9. Molecular Dynamics Simulations in Biology, Chemistry and Physics
We review recent progress in understanding fundamental processes in biology, chemistry and physics on the basis of ab initio and molecular dynamics...
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Lipid interaction with textile fibres in dyeing conditions
There is an increasing interest in the textile industry in eco-friendly textile processing, in which the use of naturally occurring materials such as...
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Inelastic Nuclear Resonant Scattering
Soon after the discovery of the M⊙ssbauer effect it became clear that nuclear resonant absorption would be a very sensitive tool for the...
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Appendix
This section deals with the calculation of the energy eigenvalues of the nuclear hyperfine interaction that are required for determination of the...
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Ultrasonic monitoring of the gelatinisation of starch
High-resolution ultrasonic spectroscopy was applied to analysis of starch gelatinisation. Temperature profiles of ultrasonic attenuation and velocity...
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Electrical double layer interactions in a non-polar liquid measured with a modified surface force apparatus
Surface force measurements have been made between mica surfaces immersed in a non-polar liquid, decane, in the presence of an amphiphilic...
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Static light scattering from fractal aggregates of microgel particles
In this work, we present static light scattering results from clusters formed from mesoscopic gel particles. The resultant I(q) curves show two power...