The calculated structures of the C4H8NO+ cations resulting from the unimolecular gas‐phase dissociation (CH3)2NCOCH2X·+ → C4H8NO+ + X· (X  CL, NO2)

Gernot Frenking; Helmut Schwarz

doi:10.1002/jcc.540030217

The calculated structures of the C₄H₈NO⁺ cations resulting from the unimolecular gas‐phase dissociation (CH₃)₂NCOCH₂X^·+ → C₄H₈NO⁺ + X· (X  CL, NO₂)

Gernot Frenking, Helmut Schwarz

Technical University of Berlin

科研成果: 期刊稿件 › 文章 › 同行评审

4 引用（Scopus）

摘要

The structures and rearrangements of various cyclic and acyclic C₄H₈NO⁺ cations resulting from the title reaction have been investigated by means of semiempirical (MNDO) and ab initio (4‐31G) calculations.

源语言	英语
页（从-至）	251-259
页数	9
期刊	Journal of Computational Chemistry
卷	3
期	2
DOI	https://doi.org/10.1002/jcc.540030217
出版状态	已出版 - 1982
已对外发布	是

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10.1002/jcc.540030217

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title = "The calculated structures of the C4H8NO+ cations resulting from the unimolecular gas‐phase dissociation (CH3)2NCOCH2X·+ → C4H8NO+ + X· (X  CL, NO2)",

abstract = "The structures and rearrangements of various cyclic and acyclic C4H8NO+ cations resulting from the title reaction have been investigated by means of semiempirical (MNDO) and ab initio (4‐31G) calculations.",

author = "Gernot Frenking and Helmut Schwarz",

year = "1982",

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AU - Schwarz, Helmut

PY - 1982

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N2 - The structures and rearrangements of various cyclic and acyclic C4H8NO+ cations resulting from the title reaction have been investigated by means of semiempirical (MNDO) and ab initio (4‐31G) calculations.

AB - The structures and rearrangements of various cyclic and acyclic C4H8NO+ cations resulting from the title reaction have been investigated by means of semiempirical (MNDO) and ab initio (4‐31G) calculations.

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DO - 10.1002/jcc.540030217

M3 - 文章

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SN - 0192-8651

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JO - Journal of Computational Chemistry

JF - Journal of Computational Chemistry

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The calculated structures of the C4H8NO+ cations resulting from the unimolecular gas‐phase dissociation (CH3)2NCOCH2X·+ → C4H8NO+ + X· (X  CL, NO2)

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The calculated structures of the C₄H₈NO⁺ cations resulting from the unimolecular gas‐phase dissociation (CH₃)₂NCOCH₂X^·+ → C₄H₈NO⁺ + X· (X  CL, NO₂)