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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().

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