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Volumn 100, Issue 51, 1996, Pages 19840-19846

Theoretical ab initio study of CN2O2 structures: Prediction of nitryl cyanide as a high-energy molecule

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Indexed keywords


EID: 33748387450     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp961902i     Document Type: Article
Times cited : (22)

References (48)
  • 29
    • 0001925878 scopus 로고
    • Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York, Chapter 2
    • Bartlett, R. J.; Stanton, J. F. In Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York, 1994; Vol. 5, Chapter 2.
    • (1994) Reviews in Computational Chemistry , vol.5
    • Bartlett, R.J.1    Stanton, J.F.2
  • 30
    • 0004040381 scopus 로고    scopus 로고
    • Quantum Theory Project, University of Florida. The program includes the VMOL integral package written by J. Almlöf and P. Taylor and a modified version of the ABACUS integral derivative package of T. U. Helgaker, H. A. Jensen, J. Olsen, P. Jørgensen, and P. Taylor. Effective core potentials were implemented by J. Gauss, and C. Huber, at the University of Karlsruhe
    • Stanton, J. F.; Gauss, J.; Watts, J. D.; Lauderdale, W. J.; Bartlett, R. J.; with contributions from Nooijen, M.; Oliphant, N.; Perera, S. A.; Gwaltney, S. R. ACES II, Quantum Theory Project, University of Florida. The program includes the VMOL integral package written by J. Almlöf and P. Taylor and a modified version of the ABACUS integral derivative package of T. U. Helgaker, H. A. Jensen, J. Olsen, P. Jørgensen, and P. Taylor. Effective core potentials were implemented by J. Gauss, and C. Huber, at the University of Karlsruhe.
    • ACES II
    • Stanton, J.F.1    Gauss, J.2    Watts, J.D.3    Lauderdale, W.J.4    Bartlett, R.J.5    Nooijen, M.6    Oliphant, N.7    Perera, S.A.8    Gwaltney, S.R.9
  • 36
    • 33748410435 scopus 로고    scopus 로고
    • This suggestion has been made by Dr. S. L. Rodgers
    • This suggestion has been made by Dr. S. L. Rodgers.
  • 39
    • 85088076091 scopus 로고    scopus 로고
    • 2 structures (see Figure 1) can be obtained from the authors (korkin@qtp.ufl.edu)
    • 2 structures (see Figure 1) can be obtained from the authors (korkin@qtp.ufl.edu).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.