Stability of the chlorinated derivatives of the DNA/RNA nucleobases, purine and pyrimidine toward radical formation via homolytic CCl bond dissociation
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DOI: 10.1002/qua.25319
Abstract: The chlorinated derivatives of nucleobases (and nucleosides), as well as those of purine, have well-established anticancer activity, and in some cases, are also shown to be involved in the link between chronic inflammatory conditions and… read more here.
Keywords: ccl bond; ccl; homolytic ccl; nucleobases purine ... See more keywords
Halogen bonding between substituted chlorobenzene and trimethylamine: Decisive role of σ–hole and CCl bond breaking energy
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DOI: 10.1002/qua.25511
Abstract: Theoretical studies have been carried out on the halogen bonding interaction between para substituted chlorobenzene (YC6H4Cl, Y = H, NH2, CH3, F, CN, NO2) and N(CH3)3 using ab initio MP2/aug-cc-pVDZ and DFT based wB97XD/6-311++G(d,p) methods. The positive… read more here.
Keywords: bond breaking; bond; halogen bonding; ccl bond ... See more keywords