메뉴 건너뛰기




Volumn 351, Issue 1-3, 2008, Pages 83-90

Theoretical study of 14N quadrupole coupling constants in some NO-containing complexes: N2O3 and FNO

Author keywords

14N nuclear quadrupole coupling constant; Dinitrogen trioxide; Electric dipole moment; Electric field gradient; FNO; Harmonic vibrational spectrum; N2O3; Nitrosyl fluoride

Indexed keywords


EID: 44949183442     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2008.03.032     Document Type: Article
Times cited : (6)

References (51)
  • 33
    • 44949260285 scopus 로고    scopus 로고
    • MOLPRO 2002.6 is a package of ab initio programs written by H.-J. Werner, P.J. Knowles, M. Schütz, R. Lindh, P. Celani, T. Korona, G. Rauhut, F.R. Manby, R.D. Amos, A. Bernhardsson, A. Berning, D.L. Cooper, M.J.O. Deegan, A.J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, A.W. Lloyd, S.J. McNicholas, W. Meyer, M.E. Mura, A. Nicklaß, P. Palmieri, R. Pitzer, U. Schumann, H. Stoll, A.J. Stone, R. Tarroni, T. Thorsteinsson.
    • MOLPRO 2002.6 is a package of ab initio programs written by H.-J. Werner, P.J. Knowles, M. Schütz, R. Lindh, P. Celani, T. Korona, G. Rauhut, F.R. Manby, R.D. Amos, A. Bernhardsson, A. Berning, D.L. Cooper, M.J.O. Deegan, A.J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, A.W. Lloyd, S.J. McNicholas, W. Meyer, M.E. Mura, A. Nicklaß, P. Palmieri, R. Pitzer, U. Schumann, H. Stoll, A.J. Stone, R. Tarroni, T. Thorsteinsson.
  • 34
    • 44949234925 scopus 로고    scopus 로고
    • ACES II (Mainz-Austin-Budapest version) is a quantum-chemical program package for high-level calculations of energies and properties written by J.F. Stanton, J. Gauss, J.D. Watts, P.G. Szalay, R.J. Bartlett with contributions from A.A. Auer, D.B. Bernholdt, O. Christiansen, M.E. Harding, M. Heckert, O. Heun, C. Huber, D. Jonsson, J. Jusélius, W.J. Lauderdale, T. Metzroth, C. Michauk, D.P. O'Neill, D.R. Price, K. Ruud, F. Schiffmann, M.E. Varner, J. Vázquez. Integral packages included are MOLECULE (J. Almlöf, P.R. Taylor), PROPS (P.R. Taylor), and ABACUS (T. Helgaker, H.J. Aa. Jensen, P. Jørgensen, J. Olsen). For current version see http://www.aces2.de.
    • ACES II (Mainz-Austin-Budapest version) is a quantum-chemical program package for high-level calculations of energies and properties written by J.F. Stanton, J. Gauss, J.D. Watts, P.G. Szalay, R.J. Bartlett with contributions from A.A. Auer, D.B. Bernholdt, O. Christiansen, M.E. Harding, M. Heckert, O. Heun, C. Huber, D. Jonsson, J. Jusélius, W.J. Lauderdale, T. Metzroth, C. Michauk, D.P. O'Neill, D.R. Price, K. Ruud, F. Schiffmann, M.E. Varner, J. Vázquez. Integral packages included are MOLECULE (J. Almlöf, P.R. Taylor), PROPS (P.R. Taylor), and ABACUS (T. Helgaker, H.J. Aa. Jensen, P. Jørgensen, J. Olsen). For current version see http://www.aces2.de.
  • 35
    • 44949264525 scopus 로고    scopus 로고
    • DALTON, a molecular electronic structure program, Release 2.0, 2005, see http://www.kjemi.uio.no/software/dalton/dalton.html.
    • DALTON, a molecular electronic structure program, Release 2.0, 2005, see http://www.kjemi.uio.no/software/dalton/dalton.html.
  • 36
    • 0003539113 scopus 로고
    • Weissberger A. (Ed), Interscience (Wiley), New York
    • Gordy W., and Cook R.L. In: Weissberger A. (Ed). Technique of Organic Chemistry. Microwave Molecular Spectra vol. 9, Part 2 (1970), Interscience (Wiley), New York
    • (1970) Microwave Molecular Spectra , vol.9 PART 2
    • Gordy, W.1    Cook, R.L.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.