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Volumn 113, Issue 13, 2009, Pages 3197-3201

First calculations of 15N- 15N J values and new calculations of chemical shifts for high nitrogen systems: A comment on the long search for HN 5 and its pentazole anion

Author keywords

[No Author keywords available]

Indexed keywords

CERIUM AMMONIUM NITRATE (CAN); COUPLED CLUSTERS; EMPIRICAL ESTIMATES; ERROR BARS; GAS-PHASE; GAS-PHASE VALUES; HIGH NITROGENS; J-VALUES; PENTAZOLE; POTENTIAL SOLUTIONS; SCALAR COUPLINGS; SOLUTION EFFECTS; SPIN-SPIN COUPLING CONSTANTS;

EID: 63849219917     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp809267y     Document Type: Article
Times cited : (41)

References (30)
  • 18
    • 84869277115 scopus 로고    scopus 로고
    • ACES II is a product of the Quantum Theory Project, University of Florida, Authors: Stanton, J. F.; Gauss, J.; Perera, S. A.; Yau, A.; Watts, J. D.; Nooijen, M.; Oliphant, N.; Szalay, P. G.; Lauderdale, W. J.; Gwaltney, S. R.; Beck, S.; Balková, A.; Bernholdt, D. E.; Baeck, K.-K.; Rozyczko, P.; Sekino, H.; Huber, C; Pittner, J.; Bartlett, R. J. Integral packages included are VMOL(Almölf, J; Taylor, P. R.), VPROPS(Taylor, P. R.), and ABACUS(Helgaker, T.; Jensen, H. J. Aa.; Jørgensen, P.; Olsen, J.; Taylor, P. R.).
    • ACES II is a product of the Quantum Theory Project, University of Florida, Authors: Stanton, J. F.; Gauss, J.; Perera, S. A.; Yau, A.; Watts, J. D.; Nooijen, M.; Oliphant, N.; Szalay, P. G.; Lauderdale, W. J.; Gwaltney, S. R.; Beck, S.; Balková, A.; Bernholdt, D. E.; Baeck, K.-K.; Rozyczko, P.; Sekino, H.; Huber, C; Pittner, J.; Bartlett, R. J. Integral packages included are VMOL(Almölf, J; Taylor, P. R.), VPROPS(Taylor, P. R.), and ABACUS(Helgaker, T.; Jensen, H. J. Aa.; Jørgensen, P.; Olsen, J.; Taylor, P. R.).
  • 19
    • 84869279546 scopus 로고    scopus 로고
    • Stanton, J. F.; Gauss, J.; Watts, J. D.; Szalay, P. G.; Bartlett, R. J.ACES II Austin-Mainz-Budapest version, a quantum mechanical chemical program package 2005, Contribution from Auer, A. A.; Bernholdt, D. B.; Christiansen O.; Harding M. E.; Heckert, M.; Heun, O.; Huber, H.; Jonsson, D.; Juselius, J.; Lauderdale, W. J.; Metzroth, T.; Ruud, K. Integral packages included are VMOL(Almolf, J; Taylor, P. R.), VPROPS(Taylor, P. R.), and ABACUS(Helgaker, T.; Jensen, H. J. Aa.; Jørgensen P.; Olsen J.; Taylor P. R.).
    • Stanton, J. F.; Gauss, J.; Watts, J. D.; Szalay, P. G.; Bartlett, R. J."ACES II Austin-Mainz-Budapest version, a quantum mechanical chemical program package" 2005, Contribution from Auer, A. A.; Bernholdt, D. B.; Christiansen O.; Harding M. E.; Heckert, M.; Heun, O.; Huber, H.; Jonsson, D.; Juselius, J.; Lauderdale, W. J.; Metzroth, T.; Ruud, K. Integral packages included are VMOL(Almolf, J; Taylor, P. R.), VPROPS(Taylor, P. R.), and ABACUS(Helgaker, T.; Jensen, H. J. Aa.; Jørgensen P.; Olsen J.; Taylor P. R.).
  • 27
    • 63849249872 scopus 로고    scopus 로고
    • Private communication
    • Butler, R. N. Private communication.
    • Butler, R.N.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.