IPPP - A program for the RPA calculation of transmission mechanisms of spin-spin coupling constants
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| Otros Autores: | , , |
| Formato: | Capítulo de libro |
| Lenguaje: | Inglés |
| Publicado: |
1986
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| Acceso en línea: | Registro en Scopus DOI Handle Registro en la Biblioteca Digital |
| Aporte de: | Registro referencial: Solicitar el recurso aquí |
| LEADER | 05250caa a22006977a 4500 | ||
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| 001 | PAPER-981 | ||
| 003 | AR-BaUEN | ||
| 005 | 20250204095238.0 | ||
| 008 | 190411s1986 xx ||||fo|||| 00| 0 eng|d | ||
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| 100 | 1 | |a Engelmann, A.R. | |
| 245 | 1 | 0 | |a IPPP - A program for the RPA calculation of transmission mechanisms of spin-spin coupling constants |
| 260 | |c 1986 | ||
| 270 | 1 | 0 | |m Engelmann, A.R.; Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabellon 1, 1428 Buenos Aires, Argentina |
| 504 | |a 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 | ||
| 504 | |a Scuseria, Facelli, Contreras, Engelmann, (1983) Chem. Phys. Lett., 96, p. 560 | ||
| 504 | |a Natiello, Contreras, (1984) Chem. Phys. Lett., 104, p. 568 | ||
| 504 | |a Contreras, Scuseria, Theoretical additivity in multipath13C,1H coupling constants (1984) Organic Magnetic Resonance, 22, p. 411 | ||
| 504 | |a Natiello, Scuseria, Contreras, (1984) Chem. Phys. Lett., 108, p. 589 | ||
| 504 | |a Contreras, Natiello, Scuseria, (1985) Magnetic Resonance Review, 9, p. 239. , C.P. Poole Jr., Gordon and Breach, London | ||
| 504 | |a Oddershede, (1978) Advances in Quantum Chemistry, 11. , P.-O. Lowdin, Academic Press, New York | ||
| 504 | |a Pople, Beveridge, (1970) Approximate Molecular Orbital Theory, , McGraw-Hill, New York | ||
| 504 | |a 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 | ||
| 504 | |a Barfield, (1980) J. Am. Chem. Soc., 102, p. 1 | ||
| 504 | |a Engelmann, Contreras, Facelli, (1981) Theoret. Chim. Acta, 59, p. 17 | ||
| 504 | |a de Kowalewski, Contreras, Engelmann, Facelli, Durán, Transmission mechanisms of inter-proton long-range couplings in substituted anisoles (1981) Organic Magnetic Resonance, 17, p. 199 | ||
| 504 | |a Engelmann, Scuseria, Contreras, (1982) J. Magn. Reson., 50, p. 21 | ||
| 504 | |a Fukui, Tsuji, Miura, (1981) J. Am. Chem. Soc., 103, p. 3652 | ||
| 504 | |a 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 | ||
| 504 | |a Ostlund, Program FINITE (1972) Quantum Chem. Program Exchange, 9, p. 224 | ||
| 504 | |a Engelmann, Contreras, (1982) Quantum Chem. Program Exchange Bull., 2, p. 14 | ||
| 504 | |a Guest, Saunders, Overill, An investigation of self-consistent field perturbation theory applied to the calculation of nuclear spin-spin coupling constants (1978) Molecular Physics, 35, p. 427 | ||
| 504 | |a Lee, Schulamn, (1980) J. Am. Chem. Soc., 102, p. 5184 | ||
| 504 | |a Scuseria, Contreras, (1981) Theoret. Chim. Acta, 59, p. 437 | ||
| 504 | |a Scuseria, Engelmann, Contreras, (1982) Theoret. Chim. Acta, 61, p. 49 | ||
| 504 | |a Klessinger, Cho, The structural dependence of vicinal13C13C coupling constants ins-cis-butane andcis-butane (1983) Organic Magnetic Resonance, 21, p. 465 | ||
| 504 | |a Overill, Saunders, (1984) Chem. Phys. Lett., 106, p. 197 | ||
| 504 | |a Geertsen, Oddershede, (1984) Chem. Phys., 90, p. 301 | ||
| 504 | |a Linderberg, Öhrn, (1973) Propagators in Quantum Chemistry, , Academic Press, New York | ||
| 504 | |a Ramsey, (1953) Phys. Rev., 91, p. 303 | ||
| 504 | |a Harriman, (1978) Theoretical Foundations of Electron Paramagnetic Resonance, , Academic Press, New York | ||
| 504 | |a Oddershede, Sabin, (1983) J. Chem. Phys., 79, p. 2295 | ||
| 504 | |a Löwdin, (1971) Studies in Perturbation Theory, , Technical Note, Quantum Chem. Group, Uppsala University | ||
| 504 | |a Verwoerd, (1979) Chem. Phys., 44, p. 151 | ||
| 504 | |a N.D. Beer, Daresbury Laboratory NMR Program Library | ||
| 506 | |2 openaire |e Política editorial | ||
| 593 | |a Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabellon 1, 1428 Buenos Aires, Argentina | ||
| 700 | 1 | |a Natiello, M.A. | |
| 700 | 1 | |a Scuseria, G.E. | |
| 700 | 1 | |a Contreras, Rubén Horacio | |
| 773 | 0 | |d 1986 |g v. 39 |h pp. 409-420 |k n. 3 |p Comput Phys Commun |x 00104655 |w (AR-BaUEN)CENRE-282 |t Computer Physics Communications | |
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| 856 | 4 | 0 | |u https://doi.org/10.1016/0010-4655(86)90097-4 |y DOI |
| 856 | 4 | 0 | |u https://hdl.handle.net/20.500.12110/paper_00104655_v39_n3_p409_Engelmann |y Handle |
| 856 | 4 | 0 | |u https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00104655_v39_n3_p409_Engelmann |y Registro en la Biblioteca Digital |
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| 963 | |a VARI | ||
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