1.A density functional theory study of the proton abstraction from methane with triplet oxygen — an example of a very difficult computational problem
Branko S. Jursic
Journal of Molecular Structure: THEOCHEM
Volume 427, Issues 1-3, 16 March 1998, Pages 137-142
- DOI:
http://dx.doi.org/10.1016/S0166-1280(97)00203-0
Yaru Pan, Yizhen Tang and Rongshun Wang
Computational and Theoretical Chemistry
Article in Press, Corrected Proof
- DOI:
http://dx.doi.org/10.1016/j.comptc.2010.12.030
Journal of Molecular Structure: THEOCHEM
Volume 499, Issues 1-3, 17 March 2000, Pages 91-98
- DOI:
http://dx.doi.org/10.1016/S0166-1280(99)00282-1
Tianying Yan, William L. Hase, and Charles Doubleday
J. Chem. Phys. 120, 9253 (2004);
- DOI:
http://dx.doi.org/10.1063/1.1705574