Package qsardes.atomconst

package qsardes.atomconst

Class	Description
AtomConstAllRochElectrNeg	Gets the Allred-Rochow atomic electronegativity.
AtomConstCharge	Gets the atomic charge.
AtomConstFirstIonizPot	Gets the atomic first ionization potential.
AtomConstFunctionCall	Atomic constants function call interface.
AtomConstIntrState	Gets the atomic instrinsic state.
AtomConstIntrStateH	Gets the atomic instrinsic state (hydrogens included).
AtomConstMass	Gets the atomic mass.
AtomConstNum	Gets the atomic number.
AtomConstPaulElectrNeg	Gets the Pauling atomic electronegativity.
AtomConstPolariz	Gets the atomic polarizability.
AtomConstResult	Stores the atomic constants.
AtomConstSandElectrNeg	Gets the Sanderson atomic electronegativity.
AtomConstSigma	Gets the atomic sigma electrons.
AtomConstValence	Gets the atomic valence.
AtomConstVanWRad	Gets the van der Waals atomic radius.
AtomConstVanWVol	Gets the van der Waals atomic volume.