A BOX-MODEL APPROACH TO MOLECULAR SHAPE
In this work, using the length-width-height ratios of a rectangular box in which the molecule under study is enclosed, two descriptors for the characterization of molecular shape are introduced. The molecular shape analysis of the set of molecules under study is facilitated by the introduction of a...
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| Language: | English |
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Sociedad Chilena de Química
2016
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| Online Access: | http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072016000400020 |
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