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#Org.openscience.cdk.charges Classes and Interfaces - 11 results found.
| Name | Description | Type | Package | Framework |
| AtomTypeCharges | Assigns charges to atom types. | Class | org.openscience.cdk.charges | CDK |
| Electronegativity | Calculation of the electronegativity of orbitals of a molecule by the method Gasteiger based on electronegativity is given by X = a + bq + c(q*q). | Class | org.openscience.cdk.charges | CDK |
| GasteigerMarsiliPartialCharges | The calculation of the Gasteiger Marsili (PEOE) partial charges is based on . | Class | org.openscience.cdk.charges | CDK |
| GasteigerPEPEPartialCharges | The calculation of the Gasteiger (PEPE) partial charges is based on . | Class | org.openscience.cdk.charges | CDK |
| IChargeCalculator | Interface | org.openscience.cdk.charges | CDK | |
| IElectronicPropertyCalculator | Interface | org.openscience.cdk.charges | CDK | |
| InductivePartialCharges | The calculation of the inductive partial atomic charges and equalization of effective electronegativities is based on . | Class | org.openscience.cdk.charges | CDK |
| MMFF94PartialCharges | The calculation of the MMFF94 partial charges. | Class | org.openscience.cdk.charges | CDK |
| PiElectronegativity | Calculation of the electronegativity of orbitals of a molecule by the method Gasteiger based on electronegativity is given by X = a + bq + c(q*q). | Class | org.openscience.cdk.charges | CDK |
| Polarizability | Calculation of the polarizability of a molecule by the method of Kang and Jhon and Gasteiger based on and | Class | org.openscience.cdk.charges | CDK |
| StabilizationCharges | The stabilization of the positive and the negative charge obtained (e. | Class | org.openscience.cdk.charges | CDK |