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Application of Evolutionary Algorithms to Global Cluster Geometry Optimization
This contribution focuses upon the application of evolutionary algorithms to the nondeterministic polynomial hard problem of global cluster geometry... -
Determination of very broad particle size distributions via interference optics in the analytical ultracentrifuge
Dispersions play a big role in industry. Important characteristics such as viscosity and gloss depend on the particle size and the particle size... -
PAEs with Heteroaromatic Rings
This article reviews the synthesis and chemical properties of poly(aryleneethynylene)s, PAEs, consisting of sulfur-containing heteroaromatic rings... -
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Macrocycle Synthesis Through Templation
This review highlights the major advances over the last 5 years in the templated synthesis of carbon-based macrocycles. With selected examples, it... -
Liquid Sulfur
The molecular composition as well as the physical properties (including spectra) of liquid sulfur Liquid Sulfur... -
Speciation and Thermodynamics of Sulfur Vapor
Sulfur vapor Sulfur vapor at temperatures of between 200 and 1000 °C consists of all molecules with 2–10 atoms, some... -
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Surface Modification of Polyethylene
Polyolefins such as polyethylene, polypropylene and their copolymers have excellent bulk physical/chemical properties, are... -
Efficient Methods to Compute Long-Range Interactions for Soft Matter Systems
An extensive introduction to the topic of how to compute long-range interactions efficiently is presented. First, the traditional Ewald sum for 3D... -
Prediction of Crystal Structures Using Evolutionary Algorithms and Related Techniques
Methods, evolutionary and systematic search approaches, and applications of crystal structure prediction of closest-packed and framework materials... -
Molecular Containers: Design Approaches and Applications
The design and synthesis of molecular containers is playing an increasing role in the selective removal and detection of species within solution. The... -
Effects of acetylation on thermodynamic properties of seaweed alginate in sodium chloride solutions
Alginates are polysaccharides consisting of mannuronate and guluronate units. While bacterial alginate is acetylated, seaweed alginate does not... -
Structural and Electronic Properties of Selected Fulleride Salts
The study of strongly correlated electron systems is at the forefront of contemporary condensed matter research because such materials, which include... -
Survey of Enzymological Data on ODCase
OMP decarboxylase (ODCase) has been the subject of enzymological, structural, and theoretical studies for several decades, yet its highly proficient... -
Hydrogen-Bond-Mediated Template Synthesis of Rotaxanes, Catenanes, and Knotanes
The synthesis of rotaxanes, catenanes, and trefoil knotanes can only be efficiently accomplished, when a suitable template effect is used that... -
Quasiparticle Calculations for Point Defects at Semiconductor Surfaces
We present a quantitative parameter-free method for calculating defect states and charge-transition levels of point defects in semiconductors. It... -
Monolithic Silicon Light Sources
Monolithic silicon light sources (LEDs and lasers) could have a significant impact when integrated on silicon chips. After a general introduction to... -
Monolithic Silicon Microphotonics
The technology evolution of optical interconnection is driven by the distance × product required for a given link. As such optical fiber deployment... -
Silicon Fundamentals for Photonics Applications
The many and diverse approaches to materials science problems have greatly enhanced our ability to engineer the physical properties of...