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pro vyhledávání: '"Aneta Leskourová"'
Autor:
Aneta Leskourová, Michal H. Kolář
Publikováno v:
Journal of Computational Chemistry. 43:864-869
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::37f6540b5961f752775c3f29f609fb64
https://doi.org/10.1002/jcc.26841
https://doi.org/10.1002/jcc.26841
Autor:
Aneta, Leskourová, Michal H, Kolář
Publikováno v:
Journal of computational chemistryREFERENCES. 43(12)
Partial atomic charges belong to key concepts of computational chemistry. In some cases, however, they fail in describing the electrostatics of molecules. One such example is the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::5cef9c198cb3b0453f3f9d35cd0c417b
https://pubmed.ncbi.nlm.nih.gov/35298034
https://pubmed.ncbi.nlm.nih.gov/35298034