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Open AccessArticle

Re-examination of Steric Substituent Constants by Molecular Mechanics

1
Department of Materials Science and Chemical Engineering, Faculty of Engineering, Yokohama National University, Hodogaya-ku, Yokohama 240-8501, Japan
2
Kanagawa High-Technology Foundation, KSP Bldg. E-201, Kawasaki 213-0012, Japan
*
Author to whom correspondence should be addressed.
Int. J. Mol. Sci. 2005, 6(1), 18-29; https://doi.org/10.3390/i6010018
Received: 1 July 2004 / Revised: 10 September 2004 / Accepted: 12 October 2004 / Published: 31 January 2005
Statistical analysis employing the set of the steric constants Ωj,k(Rc) is shown to be very effective in characterizing the substituent steric effect on organic reactions. Ωj,k(Rc) contains several variable parameters which are useful for the diagnosis of the character of steric effect. The parameters controlling the angular, or directional, weight (j,k) and the size of reaction center atom X(Rc) are varied in order to elucidate the characteristics of several steric substituent constants. View Full-Text
Keywords: Steric effect; Steric hindrance; Molecular mechanics; Steric substituent constant; Es; υ; S; Ω s Steric effect; Steric hindrance; Molecular mechanics; Steric substituent constant; Es; υ; S; Ω s
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MDPI and ACS Style

Hirota, M.; Sakakibara, K.; Yuzuri, T.; Kuroda, S.-i. Re-examination of Steric Substituent Constants by Molecular Mechanics. Int. J. Mol. Sci. 2005, 6, 18-29. https://doi.org/10.3390/i6010018

AMA Style

Hirota M, Sakakibara K, Yuzuri T, Kuroda S-i. Re-examination of Steric Substituent Constants by Molecular Mechanics. International Journal of Molecular Sciences. 2005; 6(1):18-29. https://doi.org/10.3390/i6010018

Chicago/Turabian Style

Hirota, Minoru; Sakakibara, Kazuhisa; Yuzuri, Tomoaki; Kuroda, Shin-ichi. 2005. "Re-examination of Steric Substituent Constants by Molecular Mechanics" Int. J. Mol. Sci. 6, no. 1: 18-29. https://doi.org/10.3390/i6010018

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