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#Org.openscience.cdk.math.qm Classes and Interfaces - 5 results found.
Name | Description | Type | Package | Framework |
AngularMomentum | This class is used to calculate angular momentum states. | Class | org.openscience.cdk.math.qm | CDK |
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ClosedShellJob | Calculates the orbitals and orbital energies of electron systemsAuthor:Stephan Michels Created on:2001-06-14 | Class | org.openscience.cdk.math.qm | CDK |
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OneElectronJob | Calculates the orbitals and orbital energies of electron systems without electron electron interactions | Class | org.openscience.cdk.math.qm | CDK |
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Orbitals | This class represents a set of orbitalsAuthor:Stephan Michels Created on:2001-06-14 | Class | org.openscience.cdk.math.qm | CDK |
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SimpleBasisSet | This class will generate a simple base set for a atom container. | Class | org.openscience.cdk.math.qm | CDK |