Article ID Journal Published Year Pages File Type
9591092 Journal of Molecular Structure: THEOCHEM 2005 8 Pages PDF
Abstract
Not only can the equation be used to predict the enthalpy of formation well for RX with the correlation coefficient r=0.9998 and the standard derivation s=2.89 kJ/mol, but also each item in the equation has an explicit physical meaning which will help us further understanding the correlation between molecular structures and their properties. The research result shows that the famous Luo's equation is the specific expression of the above equation, and the above-obtained equation is regarded as a new progress of Luo's research in this field. This work maybe explored a novel way to investigate the interaction of the substituents in the more complex compounds.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
, , ,