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Volumn 112, Issue 33, 2008, Pages 7608-7615

Theoretical explanation of nonexponential OH decay in reactions with benzene and toluene under pseudo-first-order conditions

Author keywords

[No Author keywords available]

Indexed keywords

ABSTRACTING; AROMATIZATION; ARRHENIUS PLOTS; ATMOSPHERIC CHEMISTRY; ATMOSPHERIC TEMPERATURE; BENZENE; FREE RADICALS; QUANTUM CHEMISTRY; QUANTUM THEORY; REACTION RATES; TOLUENE;

EID: 51049112956     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp8026258     Document Type: Article
Times cited : (58)

References (62)
  • 2
    • 0000146030 scopus 로고
    • J. Phys. Chem
    • Ref. Data
    • Atkinson, R. J. Phys. Chem. Ref. Data 1994, Monograph 2, 1.
    • (1994) Monograph , vol.2 , pp. 1
    • Atkinson, R.1
  • 5
    • 35548995022 scopus 로고
    • J. Phys. Chem
    • Ref. Data
    • Atkinson, R. J. Phys. Chem. Ref. Data 1989, Monograph 7, 1.
    • (1989) Monograph , vol.7 , pp. 1
    • Atkinson, R.1
  • 17
    • 51049097309 scopus 로고    scopus 로고
    • Uc, V. H.; García-Cruz, I.; Vivier-Bunge, A. A theoretical study of the OH radical addition to the xylenes. In Quantum Systems in Chemistry and Physics, II; Hernández-Laguna, A., et al., Eds.; Advanced Problems and Complex Systems; KIuwer Academic Publishers: Dordrecht, The Netherlands, 2000; p 241-259.
    • Uc, V. H.; García-Cruz, I.; Vivier-Bunge, A. A theoretical study of the OH radical addition to the xylenes. In Quantum Systems in Chemistry and Physics, Vol. II; Hernández-Laguna, A., et al., Eds.; Advanced Problems and Complex Systems; KIuwer Academic Publishers: Dordrecht, The Netherlands, 2000; p 241-259.
  • 20
    • 42949134285 scopus 로고    scopus 로고
    • Andino, J.; Vivier-Bunge, A. Tropospheric Chemistry of Aromatic Compounds Emitted from Anthropogenic Sources. In Advances in Quantum Chemistry, 55; Goodsite, M. E., Johnson, M. S., Eds.; Applications of Quantum Chemistry to the Atmosphere; Elsevier: Amsterdam, 2008; Chapt. 14, pp 298-309.
    • Andino, J.; Vivier-Bunge, A. Tropospheric Chemistry of Aromatic Compounds Emitted from Anthropogenic Sources. In Advances in Quantum Chemistry, Vol. 55; Goodsite, M. E., Johnson, M. S., Eds.; Applications of Quantum Chemistry to the Atmosphere; Elsevier: Amsterdam, 2008; Chapt. 14, pp 298-309.
  • 21
    • 51049093839 scopus 로고    scopus 로고
    • Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, J. A, Jr, Vreven, T, Kudin, K. N, Burant, J. C, Millam, J. M, Iyengar, S. S, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Scalmani, G, Rega, N, Petersson, G. A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Klene, M, Li, X, Knox, J. E, Hratchian, H. P, Cross, J. B, Bakken, V, Adamo, C, Jaramillo, J, Gomperts, R, Stratmann, R. E, Yazyev, O, Austin, A. J, Cammi, R, Pomelli, C, Ochterski, J. W, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain, M. C, Farkas, O, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Clifford, S, Cioslowski, J, Stefanov, B. B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Martin, R. L, Fox, D. J, Keit
    • Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision D.01; Gaussian, Inc.: Wallingford, CT, 2004.
  • 32
    • 51049096844 scopus 로고    scopus 로고
    • Zhang, S, Truong, T. N. VKLab, version 1.0; University of Utah: Salt Lake City, UT, 2001
    • Zhang, S.; Truong, T. N. VKLab, version 1.0; University of Utah: Salt Lake City, UT, 2001.
  • 33
    • 0035807686 scopus 로고    scopus 로고
    • Mora-Diez, N.; Alvarez-Idaboy, J. R.; Boyd, R, J. J. Phys. Chem. A 2001, 105, 9034.
    • Mora-Diez, N.; Alvarez-Idaboy, J. R.; Boyd, R, J. J. Phys. Chem. A 2001, 105, 9034.
  • 37
    • 85120112956 scopus 로고    scopus 로고
    • Galano, A.; Alvarez-Idaboy, J. R. Atmospheric Reactions of Oxygenated Compounds + OH Radicals: Role of Hydrogen-Bonded Intermediates and Transition States. In Advances in Quantum Chemistry, 55; Goodsite, M. E., Johnson, M. S., Eds.; Applications of Quantum Chemistry to the Atmosphere; Elsevier: Amsterdam, 2008; Chapt. 12, pp 245-274.
    • Galano, A.; Alvarez-Idaboy, J. R. Atmospheric Reactions of Oxygenated Compounds + OH Radicals: Role of Hydrogen-Bonded Intermediates and Transition States. In Advances in Quantum Chemistry, Vol. 55; Goodsite, M. E., Johnson, M. S., Eds.; Applications of Quantum Chemistry to the Atmosphere; Elsevier: Amsterdam, 2008; Chapt. 12, pp 245-274.
  • 55
    • 0001485892 scopus 로고    scopus 로고
    • See, for example, (a) ref 50. (b) Hynes, A. J.; Stoker, R. B.; Pounds, A. J.; McKay, T.; Bradshaw, J. D.; Nicovich, J. M.; Wine, P. H. J. Phys. Chem. 1995, 99, 16967.
    • See, for example, (a) ref 50. (b) Hynes, A. J.; Stoker, R. B.; Pounds, A. J.; McKay, T.; Bradshaw, J. D.; Nicovich, J. M.; Wine, P. H. J. Phys. Chem. 1995, 99, 16967.


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