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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...
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Electrochemistry and Electrogenerated Chemiluminescence of Semiconductor Nanocrystals in Solutions and in Films
A retrospective overview of electrochemical studies of semiconductor nanocrystals (NCs) is given. The electrochemical behavior of monodisperse NCs...
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Probing Hydrogen Bonding in Solids Using Solid State NMR Spectroscopy
Solid state nuclear magnetic resonance (NMR) spectroscopy is a powerful and versatile technique for probing structural and dynamic properties of...
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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...
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Electrophoretic mobility of colloidal particles in salt-free media
It is shown that the electrophoretic mobility μ of dilute spherical colloidal particles of radius a, carrying charge Q in a salt-free medium...
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Liquid Crystalline Polymers by Metathesis Polymerization
Liquid crystalline polymers (LCPs) have gained attention as materials with interesting optical, mechanical and rheological properties. This review...
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Regioselective Polymerization of 1-Alkynes and Stereoselective Cyclopolymerization of α,ω-Heptadiynes
Metathesis-based polymerizations of 1-alkynes and cyclopolymerizations of 1,6-heptadiynes using late transition metal catalysts are reviewed. Results...
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The Zintl–Klemm Concept Applied to Cations in Oxides. II. The Structures of Silicates
The structures of ternary and quaternary silicates are revisited on the basis of the Zintl–Klemm concept and the Pearson's generalised octet rule....
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Intraband Spectroscopy and Semiconductor Nanocrystals
This chapter reviews intraband spectroscopy as it has been applied to semiconductor nanocrystals synthesized by colloid methods.
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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...
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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...
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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...
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Crystallographic Studies of Native and Mutant Orotidine 5′phosphate Decarboxylases
This review aims to use the results of an approach combining crystallographic structure analysis with mutational studies as a framework for the...
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An adaptive time integration procedure for automated extended-explicit/implicit hybrid analyses
This paper introduces a new explicit-implicit time-marching formulation, presenting a novel hybrid approach for wave propagation analysis. The...
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Structural Design of SiCp/A356 Brake Discs Based on Multi-field Coupling and Material Characteristics
The structural design of the brake disc of urban rail trains, especially the design of the heat dissipation rib structure, affects the heat...
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Dynamic characteristics and test research of multibody system considering uneven wear clearances
The wear of rotating pair is a significant factor for the failure of mechanical systems. Currently, some scholars have undertaken investigations on...
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Nonlinear dynamics of planetary gearboxes containing cracks
Gear cracks may occur during the operation of planetary driveline, leading to a huge safety hazard. However, few studies have been conducted to...
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GSNR-aware resource re-provisioning for C to C+L-bands upgrade in optical backbone networks
Efficient network management in optical backbone networks is essential to manage continuous traffic growth. To accommodate this growth, network...
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Anisotropic Inverse Spin Hall Effect Observed in Sputtering Grown Topological Antiferromagnet Mn3Sn Films
Recent theoretically predicted strong anisotropic spin Hall effect (SHE) or inverse SHE (ISHE) in chiral antiferromagnetic compounds Mn 3 X ( X = Ge,...
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General Theory of Superexchange in Molecules
After recalling the basic physical backgrounds, we examine the concept of magnetic orbital, which is very useful for treating the mechanism of...