Subject: CCL: molecules in strong electric field

From: "Yurii Kruglyak" <[email-masked]>
Date: Tue, 3 Dec 1996 18:43:08 +0200 (EET)

[email-masked] wrote

<I would appreciate any references to quantum chemical or DFT
<calculations of molecules in large electric fields.

Here there are some our old publications on quantum-chemical computations
of molecules in strong external electric field:

 1. V.V.Lobanov, M.M.Aleksankin, Yu.A.Kruglyak
    Quantum-Chemical Investigation of Molecule and Ion Behaviour in
    an Electric Field. II. Ethanal
    Intern. J. Mass Spectrom. Ion Physics, v. 18, 275 - 288 (1975)

 2. M.M.Aleksankin, V.V.Lobanov, Yu.A.Kruglyak
    Dissociation of Acetaldehyde in an Electronic Field
    Doklady Akademii Nauk SSSR, v. 222, No.1, 132 - 135 (1975) [In Russian]

 3. M.M.Aleksankin, V.V.Lobanov, Yu.A.Kruglyak
    To the Theory of Hydrogen Rearrangement when Chemical Bonds are
    Dissociating under the Conditions of the Field Mass-Spectrometry
    Doklady Akademii Nauk SSSR, v. 231, No. 3, 637 - 640 (1976) [In Russian]

 4. V.V.Lobanov, Yu.A.Kruglyak, M.M.Aleksankin
    Quantum-Chemical Study of Molecules and Ions of Acetales in
    Strong Electric Field
    Teoreticheskaya i Eksperimentalnaya Khimiya (TEK),
    v. 12, No. 1, 48 - 55 (1976) [in Russian]

 5. M.M.Aleksankin, V.V.Lobanov, Yu.A.Kruglyak
    Application of the MO Method to Explain Fragmentation of
    Positive Molecular Ions in a Strong Electric Field
    Fizika Molekul (Publishing House "Naukova Dumka", Kiev)
    No. 4, 26 - 46 (1977) [In Russian]

 6. V.V.Lobanov, M.M.Aleksankin, Yu.A.Kruglyak
    Field Fragmentation of Methylamine Molecular Ion
    TEK, v. 14, No. 3, 337 - 345 (1978) [In Russian]

 7. V.V.Lobanov, M.M.Aleksankin, Yu.A.Kruglyak
    Conformational Analysis of Dioxane Molecule in External Electric Field
    Zhurnal Strukturnoi Khimii, v. 20, No. 1, 181 - 185 (1979) [In Russian]

 8. V.V.Rossikhin, E.O.Voronkov, Yu.A.Kruglyak
    Determination of Potential Energy Surface of the Molecules in the Applied
    Field on the Basis of Virial Relations
    Intern. J. Quantum Chem., v. 17, 327 - 340 (1980)

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