Can one oxidize an atom by reducing the molecule that contains it?

Physical Chemistry Chemical Physics

Volumn 8, Issue 29, 2006, Pages 3387-3390

  Ayers, Paul W ^a  

^a MCMASTER UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

METAL; OXYGEN;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; OXIDATION REDUCTION REACTION; QUANTUM THEORY;

COMPUTER SIMULATION; METALS; MODELS, CHEMICAL; MODELS, MOLECULAR; OXIDATION-REDUCTION; OXYGEN; QUANTUM THEORY;

EID: 33746146971     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b606167b     Document Type: Article

References (19)

1. R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules, Oxford University Press, New York, 1989
2. P. Geerlings F. De Proft W. Langenaeker Chem. Rev. 2003 103 1793
3. P. W. Ayers J. S. M. Anderson L. J. Bartolotti Int. J. Quantum Chem. 2005 101 520
4. W. Yang R. G. Parr R. Pucci J. Chem. Phys. 1984 81 2862
5. R. G. Parr W. Yang J. Am. Chem. Soc. 1984 106 4049
6. P. W. Ayers M. Levy Theor. Chem. Acc. 2000 103 353
7. W. Yang W. J. Mortier J. Am. Chem. Soc. 1986 108 5708
8. P. W. Ayers R. C. Morrison R. K. Roy J. Chem. Phys. 2002 116 8731
9. M. Berkowitz R. G. Parr J. Chem. Phys. 1988 88 2554
10. P. K. Chattaraj A. Cedillo R. G. Parr J. Chem. Phys. 1995 103 7645
11. P. W. Ayers R. G. Parr J. Am. Chem. Soc. 2000 122 2010
12. R. K. Roy S. Pal K. Hirao J. Chem. Phys. 1999 110 8236
13. R. K. Roy K. Hirao S. Pal J. Chem. Phys. 2000 113 1372
14. P. Bultinck R. Carbo-Dorca J. Math. Chem. 2003 34 67
15. P. Bultinck R. Carbo-Dorca W. Langenaeker J. Chem. Phys. 2003 118 4349
16. P. Senet M. Yang J. Chem. Sci. 2005 117 411
17. P. W. Ayers W. T. Yang J. Chem. Phys. 2006 124 224108
18. M. L. Wang X. Q. Hu D. N. Beratan W. T. Yang J. Am. Chem. Soc. 2006 128 3228
19. O. A. von Lilienfeld R. D. Lins U. Rothlisberger Phys. Rev. Lett. 2005 95