While in most molecules, each electron finds a partner to pair up with, some electrons in radical molecules are left alone and unpaired. This configuration grants radicals with some unusual and interesting properties, which ...
Materials Science
Dec 13, 2017
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10
Kohn-Sham density functional theory is one of the most successful theories in chemistry. It is formally rigorous; its relatively low computational cost and competitive accuracy in small and medium-sized systems make it one ...
Quantum Physics
Sep 14, 2017
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3
NUS computational scientists have developed a new version of the density functional theory (DFT) to study nanoscale devices.
General Physics
Jun 2, 2017
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8
An international, multidisciplinary research team, including an engineering professor at the University of Arkansas, has discovered a mechanism that controls the formation and function of plate-like nanocrystals that play ...
Bio & Medicine
May 31, 2017
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112
Most methods for the structural characterization of biomolecules, such as X-ray crystallography or electron microscopy, require static or crystallized samples. Attaching fluorescent molecules to protein surfaces, however, ...
Biochemistry
May 31, 2017
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4
The U.S. Department of Energy's Ames Laboratory has successfully created the first pure, single-crystal sample of a new iron arsenide superconductor, CaKFe4As4, and studies of this material have called into question some ...
Superconductivity
Mar 10, 2017
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20
Silicon crystals are the semiconductors most commonly used to make transistors, which are critical electronic components used to carry out logic operations in computing. However, as faster and more powerful processors are ...
Nanophysics
Jan 19, 2017
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553
When chemists include some theory in their papers, it usually means that they will perform some quantum-chemical calculations of the participating molecules. This generally means solving a series of extremely complex equations ...
Materials Science
Jan 5, 2017
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500
As Francis Crick, one of Britain's great scientists, once said: "If you want to understand function, study structure." Within the realm of chemical physics, a clear example of this is the two forms of carbon—diamond and ...
Materials Science
Nov 8, 2016
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13
As we enter the age of hybrid, electric and self-driving cars, interest remains high in finding the next generation of fuel cell technology that is low cost, long lasting and mass producible. In recent years, fuel cell research ...
Materials Science
Sep 2, 2016
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