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Akademický článek

Detection of aminoglycoside antibiotic residues in pork by QuEChERs method combined with SERS technique

Autor: YANG Haifan, DING Li, XU Miaowen, SHEN Kang, WANG Xubo

Publikováno v: Shipin yu jixie, Vol 40, Iss 3, Pp 68-74,81 (2024)

Objective: To achieve rapid, quantitative and high-throughput detection of aminoglycoside antibiotic residues in pork. Methods: Square-array aligned SERS substrates based on Au nanoflowers （AuNFs） were prepared using PP synthetic paper as a subst

Externí odkaz: https://doaj.org/article/c00c88494a1b4249ab34b0d93e5b4dc9

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Frozen natural spinors for Cholesky decomposition based two-component relativistic coupled cluster method

Autor: Chamoli, Somesh, Wang, Xubo, Zhang, Chaoqun, Nayak, Malaya K., Dutta, Achintya Kumar

We present an efficient and cost-effective implementation for the exact two-component atomic mean field (X2CAMF) based coupled cluster (CC) method, which integrates frozen natural spinors (FNS) and the Cholesky decomposition (CD) technique. The use o

Externí odkaz: http://arxiv.org/abs/2412.18395

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Relativistic semistochastic heat-bath configuration interaction

Autor: Wang, Xubo, Sharma, Sandeep

In this work we present the extension of semistochastic heat-bath configuration interaction (SHCI) to work with any two-component and four-component Hamiltonian. Vertical detachment energy (VDE) of AuH_2^- and zero-field splitting (ZFS) of NpO2 2+ ar

Externí odkaz: http://arxiv.org/abs/2301.05794

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