Maximum hardness in P6 isomers
作者： D. Scott Warren , Benjamin M. Gimarc
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摘要: Parr and Chattaraj proposed a principle of maximum hardness for stable molecular structures. Pearson Palke used ab initio SCF MO calculations ammonia ethane to demonstrate the operation principle. In this paper, we present results five isomeric forms homoatomic P6 cluster as further support hardness. © 1994 John Wiley & Sons, Inc.
sci-hub.se 参考文章(6)
Robert G. Parr, Ralph G. Pearson, Absolute hardness: companion parameter to absolute electronegativity Journal of the American Chemical Society. ,vol. 105, pp. 7512- 7516 ,(1983) , 10.1021/JA00364A005
Ralph G. Pearson, The electronic chemical potential and chemical hardness Journal of Molecular Structure-theochem. ,vol. 255, pp. 261- 270 ,(1992) , 10.1016/0166-1280(92)85014-C
Alejandro Olivieri, Solving acid-base equilibria: Some concerns (the author replies) Journal of Chemical Education. ,vol. 69, pp. 859- ,(1992) , 10.1021/ED069P859.1
Robert G. Parr, Pratim K. Chattaraj, Principle of maximum hardness Journal of the American Chemical Society. ,vol. 113, pp. 1854- 1855 ,(1991) , 10.1021/JA00005A072
Hans Bock, Fundamentals of Silicon Chemistry: Molecular States of Silicon‐Containing Compounds Angewandte Chemie. ,vol. 28, pp. 1627- 1650 ,(1989) , 10.1002/ANIE.198916271
D. Scott Warren, Benjamin M. Gimarc, Valence isomers of benzene and their relationship to isomers of isoelectronic P6 Journal of the American Chemical Society. ,vol. 114, pp. 5378- 5385 ,(1992) , 10.1021/JA00039A058