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Calculation of Rotational Barriers of 4-Acyloxy-4'-N-N-Butylcarbamyloxy-Biphenyls by Molecular Calculation and Linear Free Energy Relationships

Author

Listed:
  • Shu-Hsien Lin

    (National Chung-Hsing University, Taichung
    China Medical University Hospital, Taichung)

  • Yu-Fang Shen

    (Asia University, Taichung)

  • Chun-Yu Chiou
  • Gialih Lin

    (National Chung-Hsing University, Taichung)

  • Gan-Hong Chen

    (Taiwan Hospitality & Tourism College, Hualien)

Abstract

Rotational barriers of ten 4-acyloxy-4'-N-n-butylcarbamyloxy-biphenyls were calculated by density functional theory. Linear free energy relationships between rotational barriers and reduced mass existed in these compounds...

Suggested Citation

  • Shu-Hsien Lin & Yu-Fang Shen & Chun-Yu Chiou & Gialih Lin & Gan-Hong Chen, 2019. "Calculation of Rotational Barriers of 4-Acyloxy-4'-N-N-Butylcarbamyloxy-Biphenyls by Molecular Calculation and Linear Free Energy Relationships," Biomedical Journal of Scientific & Technical Research, Biomedical Research Network+, LLC, vol. 13(1), pages 1-6, January.
  • Handle: RePEc:abf:journl:v:13:y:2019:i:1:p:1-6
    DOI: 10.26717/BJSTR.2019.13.002332
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    More about this item

    Keywords

    Biomedical Sciences; Biomedical Research; Technical Research; Rotational Barriers; Density Functional Theory; Biphenyls; Gaussian; Linear Free Energy Relationship;
    All these keywords.

    JEL classification:

    • R00 - Urban, Rural, Regional, Real Estate, and Transportation Economics - - General - - - General
    • Z0 - Other Special Topics - - General

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