Internucleotide J-couplings and chemical shifts of the Ni-H⋯N hydrogen-bonds in the radiation-damaged guanine-cytosine base pairs

Journal of Computational Chemistry

Volumn 32, Issue 6, 2011, Pages 1159-1169

  Li, Huifang ^a   Zhang, Laibin ^a   Han, Li ^a   Sun, Wenming ^a   Bu, Yuxiang ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

charge transfer; chemical shifts; density functional calculations; G C base pair radicals; spin spin coupling constants

Indexed keywords

BASE PAIRS; BASIS SETS; DENSITY FUNCTIONAL CALCULATIONS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DNA BASIS; DNA SPECIES; ELECTRON DENSITY DISTRIBUTION; ELECTRON SPIN RESONANCE; ELECTRONIC PARAMETERS; ELECTROSTATIC POTENTIAL SURFACE; GUANINE CYTOSINES; H-BONDS; LONE PAIR; NMR SPECTRUM; ORBITALS; SCALAR COUPLING; SECOND-ORDER INTERACTION; SPIN-SPIN COUPLING CONSTANTS; SPIN-SPIN COUPLINGS;

CHARGE TRANSFER; CHEMICAL SHIFT; COUPLINGS; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; ION EXCHANGE; MASS TRANSFER; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; NUCLEIC ACIDS;

ELECTRON SPIN RESONANCE SPECTROSCOPY;

CYTOSINE; GUANINE;

ARTICLE; BASE PAIRING; CHEMISTRY; HYDROGEN BOND; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY;

BASE PAIRING; CYTOSINE; GUANINE; HYDROGEN BONDING; MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY;

EID: 79952493209     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21699     Document Type: Article

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