메뉴 건너뛰기




Volumn 113, Issue 2, 2009, Pages 499-506

Theoretical characterization of hydrogen polyoxides: HOOH, HOOOH, HOOOOH, and HOOO

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CARBON NANOTUBES; HYDROGEN; MOLECULAR SPECTROSCOPY; REACTION KINETICS; THERMOCHEMISTRY;

EID: 62149095388     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp808795e     Document Type: Article
Times cited : (54)

References (95)
  • 61
    • 62149110108 scopus 로고    scopus 로고
    • Stanton, J. F.; Gauss, J.; Watts, J. D.; Szalay, P. G.; Bartlett, R. J., with contributions from Auer, A. A.; Bernholdt, D. B.; Christiansen, O.; Harding, M. E.; Heckert, M.; Heun, O.; Huber, C.; Jonsson, D.; Jus61ius, J.; Lauderdale, W. J.; Metzrofh, T.; Michauk, C.; O'Neill, D. P.; Price, D. R.; Ruud, R.; Schiffmann, F.; Varner, M. E.; Vázquez, J. and the integral packages MOLECULE (Almlöf, J.; Taylor, P. R.), PROPS (Taylor, P. R.), and ABACUS (Helgaker, T.; Jensen, H. J. Aa.; Jørgensen, P.; Olsen, J.). For the current version, see http://www.aces2.de.
    • Stanton, J. F.; Gauss, J.; Watts, J. D.; Szalay, P. G.; Bartlett, R. J., with contributions from Auer, A. A.; Bernholdt, D. B.; Christiansen, O.; Harding, M. E.; Heckert, M.; Heun, O.; Huber, C.; Jonsson, D.; Jus61ius, J.; Lauderdale, W. J.; Metzrofh, T.; Michauk, C.; O'Neill, D. P.; Price, D. R.; Ruud, R.; Schiffmann, F.; Varner, M. E.; Vázquez, J. and the integral packages MOLECULE (Almlöf, J.; Taylor, P. R.), PROPS (Taylor, P. R.), and ABACUS (Helgaker, T.; Jensen, H. J. Aa.; Jørgensen, P.; Olsen, J.). For the current version, see http://www.aces2.de.
  • 62
    • 62149123761 scopus 로고    scopus 로고
    • Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 7/30/02, Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory: Richland, WA
    • Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 7/30/02, Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory: Richland, WA.
  • 63
    • 0001136801 scopus 로고
    • Eds, Rao, R. N, Mathews, C. W, Eds, Academic Press: New York
    • Mills, I. In Molecular Spectroscopy: Modern Research; Eds.: Rao, R. N.; Mathews, C. W., Eds.; Academic Press: New York, 1972; p 115.
    • (1972) Molecular Spectroscopy: Modern Research , pp. 115
    • Mills, I.1
  • 67
    • 62149118722 scopus 로고    scopus 로고
    • Gaussian 98 Frisch, M. J. et al.; Gaussian, Inc.: Pittsburgh PA, 1998.
    • Gaussian 98 Frisch, M. J. et al.; Gaussian, Inc.: Pittsburgh PA, 1998.
  • 92
    • 62149131900 scopus 로고    scopus 로고
    • webbook.nist.gov/Chemistry
    • webbook.nist.gov/Chemistry
  • 94
    • 62149083104 scopus 로고    scopus 로고
    • Personal communication. In the case where the SS CCSDTQ bond distance is increased by 0.003 Å
    • Feller, D. Personal communication. In the case where the SS CCSDTQ bond distance is increased by 0.003 Å.
    • Feller, D.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.