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A Double Rydberg anion (DRA) consists of a saturated, closed-shell, molecular cation and two electrons that occupy diffuse orbitals. Techniques of ab initio electron propagator theory (EPT) predict the existence and spectra of three new classes of DRAs. The first, with the formula NH(CH), has vertical electron detachment energies (VEDEs) that vary between 0.24 and 0.39 eV and corresponding Dyson orbitals that accumulate near the periphery of N-H bonds. An internal hydrogen bond that forms a ring with five members occurs in the second class. In paramagnetic DRA isomers, electrons are assigned to two, diffuse, triplet-coupled spin-orbitals that localize outside the N-H bonds of a cationic, tetrahedral center or outside bonds on a nearby amide or methyl group. Effects of delocalization, dispersion and radial correlation between diffuse electrons on VEDEs are described in terms of Dyson orbitals and their pole strengths. These concepts of EPT connect ground-state and spectral properties to each other and provide a rigorous, systematic and insightful approach to predicting and characterizing novel patterns of chemical bonding and molecular electronic structure.
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A methylated nucleotide base found in eukaryotic DNA. In ANIMALS, the DNA METHYLATION of CYTOSINE to form 5-methylcytosine is found primarily in the palindromic sequence CpG. In PLANTS, the methylated sequence is CpNpGp, where N can be any base.
An order of nematodes of the subclass SECERNENTEA. Its organisms are characterized by an annulated or smooth cuticle and the absence of caudal glands.
A protein domain of about 70 amino acids in length that folds into a sandwich structure consisting of a beta sheet, alpha helix, and C-terminal hairpin loop which forms a hydrophobic methylated-DNA binding patch. It binds to methylated CPG ISLANDS in eukaryotes and occurs with other DNA and CHROMATIN binding domains such as AT-HOOK MOTIFS in eukaryotic DNA BINDING PROTEINS.
Elements with partially filled d orbitals. They constitute groups 3-12 of the periodic table of elements.
RNA consisting of two strands as opposed to the more prevalent single-stranded RNA. Most of the double-stranded segments are formed from transcription of DNA by intramolecular base-pairing of inverted complementary sequences separated by a single-stranded loop. Some double-stranded segments of RNA are normal in all organisms.