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Updated: May 23, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

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通过非对等的多重配置自相一致的场计算来揭示相关机制

Zihui Song1, Jonathan S Bersson1, Lee M Thompson1

  • 1Department of Chemistry, University of Louisville, 2320 South Brook Street, Louisville, Kentucky 40292, USA.

The Journal of chemical physics
|March 11, 2025
PubMed
概括

调查电子相关性,这项研究使用非正交的多配置自相一致场 (NOMCSCF) 计算来揭示复杂的相关性机制. NOMCSCFCF 的名称

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Homonuclear correlation spectroscopy (COSY) is a powerful technique used in Nuclear Magnetic Resonance (NMR) spectroscopy to study the correlations between nuclei of the same type within a molecule. It provides information about scalar couplings between adjacent nuclei, which helps determine connectivity and structural information. There are several COSY variants, each with its unique strengths and experimental parameters.
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