https://orcid.org/0000-0002-3591-5978
References
- D.F. DeTar, Calculation of entropy and heat capacity of organic compounds in the gas phase. Evaluation of a consistent method without adjustable parameters. Applications to hydrocarbons, J. Phys. Chem. A 111 (2007), pp. 4464–4477. doi:10.1021/jp066312r.
- E.S. Domalski and E.D. Hearing, Estimation of the thermodynamic properties of hydrocarbons at 298.15 K, J. Phys. Chem. Ref. Data 17 (1988), pp. 1637–1678. doi:10.1063/1.555814.
- L. Mu and H. He, Quantitative structure–property relations (QSPRs) for predicting the standard absolute entropy (S 298 K°) of gaseous organic compounds, Ind. Eng. Chem. Res. 50 (2011), pp. 8764–8772. doi:10.1021/ie2003335.
- C. Raychaudhury and D. Pal, Information content of molecular graph and prediction of gas phase thermal entropy of organic compounds, J. Math. Chem. 51 (2013), pp. 2718–2730. doi:10.1007/s10910-013-0233-9.
- C. Raychaudhury and D. Pal, Information content measures and prediction of physical entropy of organic compounds, in Mathematical Foundations and Applications of Graph Entropy, M. Dehmer, F. Emmert-Streib, Z. Chen, X. Li, and Y. Shi, eds., Wiley-VCH, Weinheim, 2016, pp. 233–258.
- L. Zhao, P. Li, and S.H. Yalkowsky, Predicting the entropy of boiling for organic compounds, J. Chem. Inf. Comput. Sci. 39 (1999), pp. 1112–1116. doi:10.1021/ci990054w.
- C. Shannon and W. Weaver, The Mathematical Theory of Communication, University of Illinois Press, Urbana, USA, 1949.
- D. Bonchev, Information Theoretic Indices for Characterization of Chemical Structures, Research Studies Press, Chichester, UK, 1983.
- C. Raychaudhury, S.K. Ray, J.J. Ghosh, A.B. Roy, and S.C. Basak, Discrimination of isomeric structures using information theoretic topological indices, J. Comput. Chem. 5 (1984), pp. 581–588. doi:10.1002/jcc.540050612.
- F. Harary, Graph Theory, Addison-Wesley, Reading, MA, USA, 1969.
- L. Brillouin, Science and Information Theory, Academic Press, New York, 1956.
- Minitab-18.1, Minitab Statistical Software, PA, USA, 2017.
- M.K. Sabbe, F. De Vleeschouwer, M.F. Reyniers, M. Waroquier, and G.B. Marin, First principles based group additive values for the gas phase standard entropy and heat capacity of hydrocarbons and hydrocarbon radicals, J. Phys. Chem. A 112 (2008), pp. 12235–12251. doi:10.1021/jp807526n.