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A Closed-Form, Analytical Approximation for Apparent Surface Charge and Electric Field of Molecules
[Image: see text] Closed-form, analytical approximations for electrostatic properties of molecules are of unique value as these can provide computational speed, versatility, and physical insight. Here, we have derived a simple, closed-form formula for the apparent surface charge (ASC) as well as for...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9352323/ https://www.ncbi.nlm.nih.gov/pubmed/35936397 http://dx.doi.org/10.1021/acsomega.2c01484 |