Theoretical studies of the equilibria between two enolic forms of asymmetric β‐diketones
作者： Seongho Moon , Younghi Kwon
DOI: 10.1002/1097-458X(200102)39:2<89::AID-MRC803>3.0.CO;2-4
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sci-hub.se 参考文章(16)
John Emsley, The composition, structure and hydrogen bonding of the β-diketones ChemInform. ,vol. 16, pp. 147- 191 ,(1984) , 10.1007/BFB0111456
Robert G. Parr, Density-functional theory of atoms and molecules ,(1989)
Jürgen Gauss, Effects of electron correlation in the calculation of nuclear magnetic resonance chemical shifts Journal of Chemical Physics. ,vol. 99, pp. 3629- 3643 ,(1993) , 10.1063/1.466161
Burkhard Miehlich, Andreas Savin, Hermann Stoll, Heinzwerner Preuss, Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr Chemical Physics Letters. ,vol. 157, pp. 200- 206 ,(1989) , 10.1016/0009-2614(89)87234-3
Chengteh Lee, Weitao Yang, Robert G. Parr, Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Physical Review B. ,vol. 37, pp. 785- 789 ,(1988) , 10.1103/PHYSREVB.37.785
P. Hohenberg, W. Kohn, Inhomogeneous Electron Gas Physical Review. ,vol. 136, pp. 864- 871 ,(1964) , 10.1103/PHYSREV.136.B864
Guntram Rauhut, Steve Puyear, Krzysztof Wolinski, Peter Pulay, Comparison of NMR Shieldings Calculated from Hartree−Fock and Density Functional Wave Functions Using Gauge-Including Atomic Orbitals The Journal of Physical Chemistry. ,vol. 100, pp. 6310- 6316 ,(1996) , 10.1021/JP9529127
Krzysztof Wolinski, James F. Hinton, Peter Pulay, Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations Journal of the American Chemical Society. ,vol. 112, pp. 8251- 8260 ,(1990) , 10.1021/JA00179A005
C.F.G.C. Geraldes, M.T. Barros, C.D. Maycock, M.I. Silva, The preferential direction of enolization of some asymmetric 1,3-dicarbonyl compounds in solution: a study by multinuclear NMR spectroscopy Journal of Molecular Structure. ,vol. 238, pp. 335- 346 ,(1990) , 10.1016/0022-2860(90)85025-E
Anatolii I Kol'tsov, G M Kheifets, Investigation of Keto–Enol Tautomerism by Nuclear Magnetic Resonance Spectroscopy Russian Chemical Reviews. ,vol. 40, pp. 773- 788 ,(1971) , 10.1070/RC1971V040N09ABEH001969