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Volumn 771, Issue 1-3, 2006, Pages 19-26

Heats of formation of perchloric acid, HClO4, and perchloric anhydride, Cl2O7. Probing the limits of W1 and W2 theory

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EID: 33748951936     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.03.035     Document Type: Article
Times cited : (60)

References (69)
  • 3
    • 0041893687 scopus 로고    scopus 로고
    • W1 and W2 theory and their variants: thermochemistry in the kJ/mol accuracy range
    • Quantum Mechanical Prediction of Thermochemical Data. Cioslowski J. (Ed), Kluwer, Dordrecht, The Netherlands (Chapter 2)
    • Martin J.M.L., and Parthiban S. W1 and W2 theory and their variants: thermochemistry in the kJ/mol accuracy range. In: Cioslowski J. (Ed). Quantum Mechanical Prediction of Thermochemical Data. Understanding Chemical Reactivity series vol. 22 (2001), Kluwer, Dordrecht, The Netherlands 31-65 (Chapter 2)
    • (2001) Understanding Chemical Reactivity series , vol.22 , pp. 31-65
    • Martin, J.M.L.1    Parthiban, S.2
  • 6
    • 33748928343 scopus 로고    scopus 로고
    • F. von Stadion, Ann. Chim. Phys. 8 406 (1818).
  • 20
    • 33748938265 scopus 로고    scopus 로고
    • NIST Standard Reference Database 25, Version 1.0; National Bureau of Standards and Technology, Gaithersburg, MD, 1991; quoted in Ref. [15].
  • 22
    • 33748935837 scopus 로고    scopus 로고
    • IOzone filesystem benchmark, http://www.iozone.org.
  • 26
    • 33748942181 scopus 로고    scopus 로고
    • Molpro, a package of ab initio programs designed by H.-J. Werner, P.J. Knowles, version 2002.6. With contributions from R.D. Amos, A. Bernhardsson, A. Berning, P. Celani, D.L. Cooper, M.J.O. Deegan, A.J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, P.J. Knowles, T. Korona, R. Lindh, A.W. Lloyd, S.J. McNicholas, F.R. Manby, W. Meyer, M.E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schütz, U. Schumann, H. Stoll, A.J. Stone, R. Tarroni, T. Thorsteinsson, H.-J. Werner.
  • 27
    • 33748920967 scopus 로고    scopus 로고
    • M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, gaussian 03, Revision B.02, Gaussian, Inc., Pittsburgh, PA, 2003.
  • 34
    • 0035935884 scopus 로고    scopus 로고
    • (erratum 116, 3502 (2002))
    • Jensen F. J. Chem. Phys. 115 (2001) 9113 (erratum 116, 3502 (2002))
    • (2001) J. Chem. Phys. , vol.115 , pp. 9113
    • Jensen, F.1
  • 60
    • 29544444043 scopus 로고    scopus 로고
    • A.D. Boese, J.M.L. Martin, J. Mol. Struct. 780 (2006) 310.
  • 69
    • 33645706472 scopus 로고    scopus 로고
    • A. Karton, J.M.L. Martin, Theor. Chem. Acc. 115 (2006) 330.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.