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关于键长的计算方法是很多的。Huggins早先认为成键原子之间的距离等于原子共价半径之和。显然这个简单的加和规则只有对非极性键才是适宜的。Schomaker和Stevenson在核实原子共价半径的基础上提出下面经验公式:
The calculation of the key length is a lot. Huggins thought earlier that the distance between the bonding atoms equals the sum of the atomic covalent radii. Obviously this simple addition rule is only suitable for non-polar bonds. Schomaker and Stevenson propose the following empirical formula on the basis of verifying the covalent atomic radius: