Ab initio study of superoxide anion-water clusters O2-(H2O)n=1-5

Molecular Physics

Volumn 100, Issue 6, 2002, Pages 875-879

  Lee, Han Myoung ^a   Kim, Kwang S ^a  

^a Pohang University of Science and Technology (POSTECH)   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; ELECTRONIC STRUCTURE; ENTHALPY; HYDRATION; HYDROGEN BONDS; MONOMERS; NEGATIVE IONS; PROBABILITY DENSITY FUNCTION; WATER;

SUPEROXIDES;

OXIDES;

EID: 0037139835     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970110099594     Document Type: Article

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19. Ayotte, P., Weddle, G.H., and Johnson, M.A., 1999, J. chem. Phys., 110, 7119; Ayotte, P., Weddle, G.H., Kim, J., and Johnson, M.A., 1998, J. Am. chem. Soc., 120, 12361; Ayotte, P., Weddle, G.H., Kim, J., Kelly, J., and Johnson, M.A., 1998, J. phys. Chem. A, 103, 443; Ayotte, P., Weddle, G.H., Kim, J. and Johnson, M.A., 1998, Chem. Phys., 239, 485; Ayotte, P., Kelly, J.A., Nielsen, S.B. and Johnson, M.A., 2000, Chem. Phys. Lett., 316, 455; Wies, P., Kemper, P.R., and Bowers, M.T., 1999, J. Am. chem. Soc., 121, 3531; Cabarcos, O.M., Weinheimer, C.J., Lisy, J.M., and Xantheas, S.S., 1999, J. chem. Phys., 110, 5; Choi, J.-H., Kuwata, K.T., Cao, Y.-B. and Okumura, M., 1998, J. phys. Chem., 102, 503; Johnson, M.S., Kuwata, K.T., Wong, C.-K. and Okumura, M., 1996, Chem. Phys. Lett., 260, 551; Markovich, G., Pollack, S., Giniger, R. and Chesnovsky, O., 1994, J. chem. Phys., 95, 9416; Castleman Jr., A.W. and Brown, M.G., 1996, J. phys. Chem., 100, 12911.
20. Ayotte, P., Weddle, G.H., and Johnson, M.A., 1999, J. chem. Phys., 110, 7119; Ayotte, P., Weddle, G.H., Kim, J., and Johnson, M.A., 1998, J. Am. chem. Soc., 120, 12361; Ayotte, P., Weddle, G.H., Kim, J., Kelly, J., and Johnson, M.A., 1998, J. phys. Chem. A, 103, 443; Ayotte, P., Weddle, G.H., Kim, J. and Johnson, M.A., 1998, Chem. Phys., 239, 485; Ayotte, P., Kelly, J.A., Nielsen, S.B. and Johnson, M.A., 2000, Chem. Phys. Lett., 316, 455; Wies, P., Kemper, P.R., and Bowers, M.T., 1999, J. Am. chem. Soc., 121, 3531; Cabarcos, O.M., Weinheimer, C.J., Lisy, J.M., and Xantheas, S.S., 1999, J. chem. Phys., 110, 5; Choi, J.-H., Kuwata, K.T., Cao, Y.-B. and Okumura, M., 1998, J. phys. Chem., 102, 503; Johnson, M.S., Kuwata, K.T., Wong, C.-K. and Okumura, M., 1996, Chem. Phys. Lett., 260, 551; Markovich, G., Pollack, S., Giniger, R. and Chesnovsky, O., 1994, J. chem. Phys., 95, 9416; Castleman Jr., A.W. and Brown, M.G., 1996, J. phys. Chem., 100, 12911.
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22. Park, I., Cho, K., Lee, S., Kim, K.S., and Joannopoulos, J.D., 2001, Comp. Mater. Sci., 21, 291; Suh, S.B., Lee, H.M., Kim, J., Lee, J.Y., and Kim, K.S., 2000, J. chem. Phys., 113, 5273; Lee, H.M., Suh, S.B., and Kim, K.S., 2000, Bull. Korean chem. Soc., 21, 555; Kim, J.S., Suh, S.B. and Kim, K.S., 1999, J. chem. Phys., 111, 10077; Kim, J., Lee, J.Y., Oh, K.S., Park, J.M., Lee, S. and Kim, K.S., 1999, J. phys. Rev. A, 59, R930; Lee, S., Kim, J., Lee, S.J. and Kim, K.S., 1997, Phys. Rev. Lett., 79, 2038; Kim, K.S., Lee, S., Kim, J. and Lee, J.Y., 1997, J. Am. chem. Soc., 119, 9329; Kim, J., Park, J.M., Oh, K.S., Lee, J.Y., Lee, S., and Kim, K.S., 1997, J. chem. Phys., 106, 10207; Kim, K.S., Park, I., Lee, S., Lee, J.Y., Kim, J. and Joannopoulos, J.D., 1996, Phys. Rev. Lett., 76, 956.
23. Park, I., Cho, K., Lee, S., Kim, K.S., and Joannopoulos, J.D., 2001, Comp. Mater. Sci., 21, 291; Suh, S.B., Lee, H.M., Kim, J., Lee, J.Y., and Kim, K.S., 2000, J. chem. Phys., 113, 5273; Lee, H.M., Suh, S.B., and Kim, K.S., 2000, Bull. Korean chem. Soc., 21, 555; Kim, J.S., Suh, S.B. and Kim, K.S., 1999, J. chem. Phys., 111, 10077; Kim, J., Lee, J.Y., Oh, K.S., Park, J.M., Lee, S. and Kim, K.S., 1999, J. phys. Rev. A, 59, R930; Lee, S., Kim, J., Lee, S.J. and Kim, K.S., 1997, Phys. Rev. Lett., 79, 2038; Kim, K.S., Lee, S., Kim, J. and Lee, J.Y., 1997, J. Am. chem. Soc., 119, 9329; Kim, J., Park, J.M., Oh, K.S., Lee, J.Y., Lee, S., and Kim, K.S., 1997, J. chem. Phys., 106, 10207; Kim, K.S., Park, I., Lee, S., Lee, J.Y., Kim, J. and Joannopoulos, J.D., 1996, Phys. Rev. Lett., 76, 956.
24. Park, I., Cho, K., Lee, S., Kim, K.S., and Joannopoulos, J.D., 2001, Comp. Mater. Sci., 21, 291; Suh, S.B., Lee, H.M., Kim, J., Lee, J.Y., and Kim, K.S., 2000, J. chem. Phys., 113, 5273; Lee, H.M., Suh, S.B., and Kim, K.S., 2000, Bull. Korean chem. Soc., 21, 555; Kim, J.S., Suh, S.B. and Kim, K.S., 1999, J. chem. Phys., 111, 10077; Kim, J., Lee, J.Y., Oh, K.S., Park, J.M., Lee, S. and Kim, K.S., 1999, J. phys. Rev. A, 59, R930; Lee, S., Kim, J., Lee, S.J. and Kim, K.S., 1997, Phys. Rev. Lett., 79, 2038; Kim, K.S., Lee, S., Kim, J. and Lee, J.Y., 1997, J. Am. chem. Soc., 119, 9329; Kim, J., Park, J.M., Oh, K.S., Lee, J.Y., Lee, S., and Kim, K.S., 1997, J. chem. Phys., 106, 10207; Kim, K.S., Park, I., Lee, S., Lee, J.Y., Kim, J. and Joannopoulos, J.D., 1996, Phys. Rev. Lett., 76, 956.
25. Park, I., Cho, K., Lee, S., Kim, K.S., and Joannopoulos, J.D., 2001, Comp. Mater. Sci., 21, 291; Suh, S.B., Lee, H.M., Kim, J., Lee, J.Y., and Kim, K.S., 2000, J. chem. Phys., 113, 5273; Lee, H.M., Suh, S.B., and Kim, K.S., 2000, Bull. Korean chem. Soc., 21, 555; Kim, J.S., Suh, S.B. and Kim, K.S., 1999, J. chem. Phys., 111, 10077; Kim, J., Lee, J.Y., Oh, K.S., Park, J.M., Lee, S. and Kim, K.S., 1999, J. phys. Rev. A, 59, R930; Lee, S., Kim, J., Lee, S.J. and Kim, K.S., 1997, Phys. Rev. Lett., 79, 2038; Kim, K.S., Lee, S., Kim, J. and Lee, J.Y., 1997, J. Am. chem. Soc., 119, 9329; Kim, J., Park, J.M., Oh, K.S., Lee, J.Y., Lee, S., and Kim, K.S., 1997, J. chem. Phys., 106, 10207; Kim, K.S., Park, I., Lee, S., Lee, J.Y., Kim, J. and Joannopoulos, J.D., 1996, Phys. Rev. Lett., 76, 956.
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