Direct dynamics trajectory study of vibrational effects: Can Polanyi rules be generalized to a polyatomic system?

Journal of the American Chemical Society

Volumn 126, Issue 28, 2004, Pages 8602-8603

  Liu, Jianbo ^a   Song, Kihyung ^b   Hase, William L ^c   Anderson, Scott L ^a  

^a UNIVERSITY OF UTAH   (United States)

^b Korea National University of Education   (South Korea)

^c TEXAS TECH UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

METHANE;

ARTICLE; ATOMIC PARTICLE; CALCULATION; CHEMICAL BOND; DYNAMICS; ENERGY; REACTION ANALYSIS; VIBRATION;

EID: 3242719328     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja048635b     Document Type: Article

References (6)

1. Polanyi, J. C.; Wong, W. H. J. Chem. Phys. 1969, 51, 1439-1450.
2. Liu, J.; Devener, B. V.; Anderson, S. L. J. Chem. Phys. 2003, 119, 200-214.
3. Hase, W. L.; Bolton, K.; de Sainte Claire, P.; et al. VENUS99, 1999.
4. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; et al. Gaussian01, revision B.01; Gaussian, Inc.: Pittsburgh, PA, 2001.
5. (a) Sun, L.; Song, K.; Hase, W. L. Science 2002, 296, 875-878.
6. (b) Ammal, S. C.; Yamataka, H.; Aida, M.; Dupuis, M. Science 2003, 299, 1555-1557.