Minimal set of molecule-adapted atomic orbitals from maximum overlap criterion (Q395285): Difference between revisions
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Property / Mathematics Subject Classification ID: 92E10 / rank | |||
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Property / zbMATH DE Number: 6251717 / rank | |||
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minimal basis set | |||
Property / zbMATH Keywords: minimal basis set / rank | |||
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partial atomic charges | |||
Property / zbMATH Keywords: partial atomic charges / rank | |||
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molecule-intrinsic orbitals | |||
Property / zbMATH Keywords: molecule-intrinsic orbitals / rank | |||
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Property / MaRDI profile type: MaRDI publication profile / rank | |||
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Property / full work available at URL: https://doi.org/10.1007/s10910-013-0230-z / rank | |||
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Property / OpenAlex ID: W2063234448 / rank | |||
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Property / Wikidata QID: Q59303446 / rank | |||
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Property / cites work | |||
Property / cites work: Basis set dependence of molecular information channels and their entropic bond descriptors / rank | |||
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Property / cites work: Many-orbital probabilities and their entropy/information descriptors in orbital communication theory of the chemical bond / rank | |||
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Latest revision as of 07:44, 7 July 2024
scientific article
Language | Label | Description | Also known as |
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English | Minimal set of molecule-adapted atomic orbitals from maximum overlap criterion |
scientific article |
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Minimal set of molecule-adapted atomic orbitals from maximum overlap criterion (English)
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29 January 2014
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minimal basis set
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partial atomic charges
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molecule-intrinsic orbitals
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