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- W2046296741 abstract "The different properties of the ethanal molecule and of its ions, and their dependence on the field strength, were studied in the CNDO/2 approximation with an external homogeneous electric field term in the Hamiltonian. The importance of taking account of the orientations of a molecule and of its ions relative to the field vector for interpreting the field ion mass spectrum has been shown. Change in the geometric structure of the ethanal molecule and its ions depending on the field strength, as well as the influence of this change on the physical properties of the system, were studied. The field ion mass spectrum of ethanal is explained in general. The nature of the charged and neutral fragments released during dissociation of a molecular ion in the region of action of the electric field, as well as outside it, is elucidated." @default.
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- W2046296741 date "1975-12-01" @default.
- W2046296741 modified "2023-09-25" @default.
- W2046296741 title "Quantum chemical investigation of molecule and ion behaviour in an electric field. II. Ethanal" @default.
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- W2046296741 doi "https://doi.org/10.1016/0020-7381(75)87046-x" @default.
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