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- W3012925807 abstract "Abstract The conformational structure of some typical α-diimine ligands (2,2′-bipyridyl, glyoxaldiimine, glyoxal-N,N′-dimethyldiimine) is examined using the NDDO method. An analysis of the potential energy curves indicates the influence of specific lone-pair effects on the molecular structure. Based on a continuum model, changes of the molecular arrangement caused by solvent effects are estimated." @default.
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- W3012925807 date "1979-03-13" @default.
- W3012925807 modified "2023-10-14" @default.
- W3012925807 title "ChemInform Abstract: QUANTUM CHEMICAL CALCULATIONS FOR THE DETERMINATION OF THE MOLECULAR STRUCTURE OF CONJUGATED COMPOUNDS. PART XIV. ON THE CONFORMATIONAL STRUCTURE OF α-DIIMINE LIGANDS" @default.
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- W3012925807 doi "https://doi.org/10.1002/chin.197911076" @default.
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