Logo Search packages:      
Sourcecode: cdk version File versions  Download package

final String org.openscience.cdk.CDKConstants.ISOTROPIC_SHIELDING = "cdk:IsotropicShielding" [static]

The Isotropic Shielding, usually calculated by a quantum chemistry program like Gaussian. This is a property used for calculating NMR chemical shifts by subtracting the value from the isotropic shielding value of a standard (e.g. TMS).

Definition at line 302 of file CDKConstants.java.

Referenced by org.openscience.cdk.io.Gaussian98Reader.readNMRData().


Generated by  Doxygen 1.6.0   Back to index