Title : UV photoelectron and theoretical characterization of 2'-deoxyguanosine-5'-phosphate valence electronic properties: changes in structure associated with the B to Z-DNA conformational transition.

Pub. Date : 1992 Apr 15

PMID : 1567422






1 Functional Relationships(s)
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1 The IP"s of six of the highest occupied orbitals of the phosphate group in 4 and in the model anion 3, predicted from 4-31G SCF calculations, have been corrected by comparing 4-31G SCF results for PO2- to theoretical IP"s obtained from second-order Moller-Plesset perturbation calculations on PO2-. PO-2 KIT ligand Homo sapiens