AtomProperty module

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Authors: Zhijiang Yao and Dongsheng Cao.

Date: 2016.06.04

Email: gadsby@163.com

Z: atomic number L: principal quantum number Zv: number of valence electrons Rv: van der Waals atomic radius Rc: covalent radius m: atomic mass V: van der Waals vloume En: Sanderson electronegativity alapha: atomic polarizability (10e-24 cm3) IP: ionization potential (eV) EA: electron affinity (eV)

AtomProperty.GetAbsoluteAtomicProperty(element='C', propertyname='m')[source]

Get the absolute property value with propertyname for the given atom.

AtomProperty.GetRelativeAtomicProperty(element='C', propertyname='m')[source]

Get the absolute property value with propertyname for the given atom.