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A Method for Calculating the Molar Volume of alkyl Benzene, Alkyl Naphthalene and Diphenylalkane-the Group Bond Contribution Method
Author(s): FENG Ruiying, WANG Keqiang
Journal: ACADEMIC FORUM OF NAN DU(NATURAL SCIENCES EDITION), Year 2001 , Issue 3 , Page 64-67
Keyword:  结构性能关系基团键基团键贡献法摩尔体积烷基苯烷基萘烷基联苯;
Abstract: 根据分子中基团的特性和连接性,发展了一种计算烷基苯、烷基萘和烷基联苯摩尔体积的方法--基团键贡献法,该方法既考虑分子中基团的特性,又考虑基团之间的连接性,同时具有基团贡献法和化学键贡献法的特点.应用基团键贡献法对211种芳烃摩尔体积的计算结果表明,计算值十分接近实验值,平均误差0.592.
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