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Volumn 102, Issue 29, 1998, Pages 5958-5966

Theoretical estimation of the activation energy for the reaction HO• + H2O → H2O + •OH: Importance of tunneling

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EID: 0000194671     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp980838x     Document Type: Article
Times cited : (37)

References (47)
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    • MOLPRO, a package of ab initio programs written by Werner, H.-J.; Knowles, P. J. (with contributions by Almlof, J.; Amos, R.; Elbert, S.; Hampel, K.; Meyer, W.; Peterson, K.; Pitzer, R.; Stone, A.); Werner, H.-J.; Knowles, P. J. J. Chem. Phys. 1985, 82, 5053. Knowles, P. J.; Werner, H.-J. Chem. Phys. Lett. 1985, 115, 259. Werner, H.-J.; Knowles, P. J. J. Chem. Phys. 1988, 89, 5803. Knowles, P. J.; Werner, H.-J. Chem. Phys. Lett. 1988, 145, 514.
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    • MOLPRO, a package of ab initio programs written by Werner, H.-J.; Knowles, P. J. (with contributions by Almlof, J.; Amos, R.; Elbert, S.; Hampel, K.; Meyer, W.; Peterson, K.; Pitzer, R.; Stone, A.); Werner, H.-J.; Knowles, P. J. J. Chem. Phys. 1985, 82, 5053. Knowles, P. J.; Werner, H.-J. Chem. Phys. Lett. 1985, 115, 259. Werner, H.-J.; Knowles, P. J. J. Chem. Phys. 1988, 89, 5803. Knowles, P. J.; Werner, H.-J. Chem. Phys. Lett. 1988, 145, 514.
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