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searching for Intrinsic bond orbitals 1 found (4 total)

Phosphorus mononitride (4,693 words) [view diff] exact match in snippet view article find links to article

Occupied intrinsic bond orbitals (IBOs) of PN. Example calculated at the PBE0-D3BJ level of theory using the def2-TZVP basis set with ORCA. (Left): Two