Conformational isomerization of 4-methyl-1,3-dioxane
作者： A. E. Kuramshina , S. A. Bochkor , V. V. Kuznetsov
DOI: 10.1007/S10593-009-0300-0
关键词:
摘要: The whole possible course of conformational isomerization 4-methyl-1,3-dioxane has been established using empirical (MM+) and nonempirical [STO-3G, 3-21G, 6-31G(d) 6-31G(d,p)] approximations within the limits Hartree-Fock method. It was shown that potential energy surface this compound contains a principal (equatorial chair conformer) local minima corresponding to axial conformer series flexible forms.
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sci-hub.se 参考文章(2)
Grant D Smith, Richard L Jaffe, Do.Y Yoon, Conformations of 1,2-dimethoxypropane and 5-methoxy-1,3-dioxane: are ab initio quantum chemistry predictions accurate? Chemical Physics Letters. ,vol. 289, pp. 480- 486 ,(1998) , 10.1016/S0009-2614(98)00482-5
Fillmore Freeman, Katie Uyen Do, A computational study of conformers of 1,3-dioxane (1,3-dioxacyclohexane) Journal of Molecular Structure-theochem. ,vol. 577, pp. 43- 54 ,(2002) , 10.1016/S0166-1280(01)00603-0