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

Shu-Hsien Lin, Yu-Fang Shen, Chun-Yu Chiou, Gialih Lin and Gan-Hong Chen
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Shu-Hsien Lin: National Chung-Hsing University, Taichung
Yu-Fang Shen: Asia University, Taichung
Gialih Lin: National Chung-Hsing University, Taichung
Gan-Hong Chen: Taiwan Hospitality & Tourism College, Hualien

Biomedical Journal of Scientific & Technical Research, 2019, vol. 13, issue 1, 1-6

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...

Keywords: Biomedical Sciences; Biomedical Research; Technical Research; Rotational Barriers; Density Functional Theory; Biphenyls; Gaussian; Linear Free Energy Relationship (search for similar items in EconPapers)
Date: 2019
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Persistent link: https://EconPapers.repec.org/RePEc:abf:journl:v:13:y:2019:i:1:p:1-6

DOI: 10.26717/BJSTR.2019.13.002332

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