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Documento: Artículo
Título:IPPP - A program for the RPA calculation of transmission mechanisms of spin-spin coupling constants
Autor:Engelmann, A.R.; Natiello, M.A.; Scuseria, G.E.; Contreras, R.H.
Filiación:Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabellon 1, 1428 Buenos Aires, Argentina
Año:1986
Volumen:39
Número:3
Página de inicio:409
Página de fin:420
DOI: http://dx.doi.org/10.1016/0010-4655(86)90097-4
Título revista:Computer Physics Communications
Título revista abreviado:Comput Phys Commun
ISSN:00104655
CODEN:CPHCB
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00104655_v39_n3_p409_Engelmann

Referencias:

  • Engelmann, Contreras, Transmission mechanisms of spin-spin coupling constants within theCHF approximation: Their study using inner projections of the polarization propagator (1983) International Journal of Quantum Chemistry, 23, p. 1033
  • Scuseria, Facelli, Contreras, Engelmann, (1983) Chem. Phys. Lett., 96, p. 560
  • Natiello, Contreras, (1984) Chem. Phys. Lett., 104, p. 568
  • Contreras, Scuseria, Theoretical additivity in multipath13C,1H coupling constants (1984) Organic Magnetic Resonance, 22, p. 411
  • Natiello, Scuseria, Contreras, (1984) Chem. Phys. Lett., 108, p. 589
  • Contreras, Natiello, Scuseria, (1985) Magnetic Resonance Review, 9, p. 239. , C.P. Poole Jr., Gordon and Breach, London
  • Oddershede, (1978) Advances in Quantum Chemistry, 11. , P.-O. Lowdin, Academic Press, New York
  • Pople, Beveridge, (1970) Approximate Molecular Orbital Theory, , McGraw-Hill, New York
  • Blizzard, Santry, Self-Consistent Perturbation Theory of Nuclear Spin-Coupling Constants: Application to Couplings Involving Carbon and Fluorine (1973) The Journal of Chemical Physics, 55, p. 950
  • Barfield, (1980) J. Am. Chem. Soc., 102, p. 1
  • Engelmann, Contreras, Facelli, (1981) Theoret. Chim. Acta, 59, p. 17
  • de Kowalewski, Contreras, Engelmann, Facelli, Durán, Transmission mechanisms of inter-proton long-range couplings in substituted anisoles (1981) Organic Magnetic Resonance, 17, p. 199
  • Engelmann, Scuseria, Contreras, (1982) J. Magn. Reson., 50, p. 21
  • Fukui, Tsuji, Miura, (1981) J. Am. Chem. Soc., 103, p. 3652
  • Fukui, Miura, Ohta, Tsuji, Calculation of the nuclear spin–spin coupling constants. IV. π‐electron contributions (1982) The Journal of Chemical Physics, 76, p. 5169
  • Ostlund, Program FINITE (1972) Quantum Chem. Program Exchange, 9, p. 224
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  • Scuseria, Contreras, (1981) Theoret. Chim. Acta, 59, p. 437
  • Scuseria, Engelmann, Contreras, (1982) Theoret. Chim. Acta, 61, p. 49
  • Klessinger, Cho, The structural dependence of vicinal13C13C coupling constants ins-cis-butane andcis-butane (1983) Organic Magnetic Resonance, 21, p. 465
  • Overill, Saunders, (1984) Chem. Phys. Lett., 106, p. 197
  • Geertsen, Oddershede, (1984) Chem. Phys., 90, p. 301
  • Linderberg, Öhrn, (1973) Propagators in Quantum Chemistry, , Academic Press, New York
  • Ramsey, (1953) Phys. Rev., 91, p. 303
  • Harriman, (1978) Theoretical Foundations of Electron Paramagnetic Resonance, , Academic Press, New York
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  • Löwdin, (1971) Studies in Perturbation Theory, , Technical Note, Quantum Chem. Group, Uppsala University
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Citas:

---------- APA ----------
Engelmann, A.R., Natiello, M.A., Scuseria, G.E. & Contreras, R.H. (1986) . IPPP - A program for the RPA calculation of transmission mechanisms of spin-spin coupling constants. Computer Physics Communications, 39(3), 409-420.
http://dx.doi.org/10.1016/0010-4655(86)90097-4
---------- CHICAGO ----------
Engelmann, A.R., Natiello, M.A., Scuseria, G.E., Contreras, R.H. "IPPP - A program for the RPA calculation of transmission mechanisms of spin-spin coupling constants" . Computer Physics Communications 39, no. 3 (1986) : 409-420.
http://dx.doi.org/10.1016/0010-4655(86)90097-4
---------- MLA ----------
Engelmann, A.R., Natiello, M.A., Scuseria, G.E., Contreras, R.H. "IPPP - A program for the RPA calculation of transmission mechanisms of spin-spin coupling constants" . Computer Physics Communications, vol. 39, no. 3, 1986, pp. 409-420.
http://dx.doi.org/10.1016/0010-4655(86)90097-4
---------- VANCOUVER ----------
Engelmann, A.R., Natiello, M.A., Scuseria, G.E., Contreras, R.H. IPPP - A program for the RPA calculation of transmission mechanisms of spin-spin coupling constants. Comput Phys Commun. 1986;39(3):409-420.
http://dx.doi.org/10.1016/0010-4655(86)90097-4