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MoleculeProperty[pname]

represents a property identified by pname for use in MoleculeValue.

MoleculeProperty[{pname,item}]

represents a property that applies to item within a molecule.

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MoleculeProperty

MoleculeProperty[pname]

represents a property identified by pname for use in MoleculeValue.

MoleculeProperty[{pname,item}]

represents a property that applies to item within a molecule.

Details

Examples

Basic Examples  (3)

Query for the computed coordinates of a molecule:

MoleculeProperty can also act as an operator on molecules:

Sort a list of molecules by a particular property:

Wolfram Research (2019), MoleculeProperty, Wolfram Language function, https://reference.wolfram.com/language/ref/MoleculeProperty.html.

Text

Wolfram Research (2019), MoleculeProperty, Wolfram Language function, https://reference.wolfram.com/language/ref/MoleculeProperty.html.

CMS

Wolfram Language. 2019. "MoleculeProperty." Wolfram Language & System Documentation Center. Wolfram Research. https://reference.wolfram.com/language/ref/MoleculeProperty.html.

APA

Wolfram Language. (2019). MoleculeProperty. Wolfram Language & System Documentation Center. Retrieved from https://reference.wolfram.com/language/ref/MoleculeProperty.html

BibTeX

@misc{reference.wolfram_2025_moleculeproperty, author="Wolfram Research", title="{MoleculeProperty}", year="2019", howpublished="\url{https://reference.wolfram.com/language/ref/MoleculeProperty.html}", note=[Accessed: 13-August-2025]}

BibLaTeX

@online{reference.wolfram_2025_moleculeproperty, organization={Wolfram Research}, title={MoleculeProperty}, year={2019}, url={https://reference.wolfram.com/language/ref/MoleculeProperty.html}, note=[Accessed: 13-August-2025]}