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Updated: May 10, 2025

Characterization, Quantification and Compound-specific Isotopic Analysis of Pyrogenic Carbon Using Benzene Polycarboxylic Acids BPCA
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PAH101:一个GW+BSE数据集,包含101个多环芳香碳化合物 (PAH) 分子晶体

Siyu Gao1, Xingyu Liu1, Yiqun Luo2

  • 1Department of Materials Science and Engineering, Carnegie Mellon University, Pittsburgh, PA, 15213, USA.

Scientific data
|April 23, 2025
PubMed
概括

研究人员创建了第一个数据集,用于计算分子晶体的兴奋状态特性,使用GW近似和Bethe-Salpeter方程 (GW+BSE). 该资源有助于发现新的有机电子材料.

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Many proteins can be classified into two distinct subtypes - globular or fibrous. These two types differ in their shapes and solubilities.
Globular proteins are also known as spheroproteins and typically are approximately round in shape. They contain a mix of amino acid types and contain differing sequences in their primary structures. Globular proteins have many different functions, such as enzymes, cellular messengers, and molecular transporters. These roles often require the proteins to be...
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