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Engelmann, Alejandro R., Natiello, Mario A., Scuseria, Gustavo E., Contreras, Rubén H. (1986) IPPP — A program for the RPA calculation of transmission mechanisms of spin-spin coupling constants. Computer Physics Communications, 39. 409-420 doi:10.1016/0010-4655(86)90097-4

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Reference TypeJournal (article/letter/editorial)
TitleIPPP — A program for the RPA calculation of transmission mechanisms of spin-spin coupling constants
JournalComputer Physics Communications
AuthorsEngelmann, Alejandro R.Author
Natiello, Mario A.Author
Scuseria, Gustavo E.Author
Contreras, Rubén H.Author
Year1986 (April)Volume39
PublisherElsevier BV
DOIdoi:10.1016/0010-4655(86)90097-4Search in ResearchGate
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Mindat Ref. ID6593387Long-form Identifiermindat:1:5:6593387:1
GUID0
Full ReferenceEngelmann, Alejandro R., Natiello, Mario A., Scuseria, Gustavo E., Contreras, Rubén H. (1986) IPPP — A program for the RPA calculation of transmission mechanisms of spin-spin coupling constants. Computer Physics Communications, 39. 409-420 doi:10.1016/0010-4655(86)90097-4
Plain TextEngelmann, Alejandro R., Natiello, Mario A., Scuseria, Gustavo E., Contreras, Rubén H. (1986) IPPP — A program for the RPA calculation of transmission mechanisms of spin-spin coupling constants. Computer Physics Communications, 39. 409-420 doi:10.1016/0010-4655(86)90097-4
In(n.d.) Computer Physics Communications Vol. 39. Elsevier BV

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CONTRERAS, R. H., NATIELLO, M. A., SCUSERIA, G. E. (1985) ChemInform Abstract: MECHANISMS WHICH PRODUCE SPIN-SPIN COUPLING IN NMR. Chemischer Informationsdienst, 16 (28) doi:10.1002/chin.198528399
Scuseria, Gustavo E., Contreras, Rubén H. (1982) Calculations of spin-spin coupling constants with the self-consistent polarization propagator approximation in non-singlet unstable wavefunctions. Chemical Physics Letters, 93. 425-428 doi:10.1016/0009-2614(82)83214-4
Peralta, Juan E., Barone, Verónica, Scuseria, Gustavo E., Contreras, Rubén H. (2004) Density Functional Theory Calculation of Indirect Nuclear Magnetic Resonance Spin−Spin Coupling Constants in C70. Journal Of The American Chemical Society, 126 (24) 7428-7429 doi:10.1021/ja048141e
Scuseria, Gustavo E. (1986) A systematics study of the AB initio diamagnetic spin-orbital contribution to calculated spin-spin coupling constants. Chemical Physics, 107. 417-427 doi:10.1016/0301-0104(86)85019-4
Fang, D.F., Shriner, J.F. (1992) A computer program for the calculation of angular-momentum coupling coefficients. Computer Physics Communications, 70. 147-153 doi:10.1016/0010-4655(92)90097-i
Scuseria, G.E., Facelli, J.C., Contreras, R.H., Engelmann, A.R. (1983) Transmission of spin—spin coupling constants through different paths in bicyclo(2,2,1)heptane: their calculation using inner projections of the polarization propagator. Chemical Physics Letters, 96. 560-562 doi:10.1016/0009-2614(83)80448-5
Natiello, Mario A., Contreras, Rubén H. (1984) The through-space transmission of 13C19F coupling constants via an intermediate bond: A polarization propagator analysis. Chemical Physics Letters, 104. 568-571 doi:10.1016/0009-2614(84)80028-7
Dyall, K.G. (1986) Transform: A program to calculate transformations between various jj and LS coupling schemes. Computer Physics Communications, 39. 141-152 doi:10.1016/0010-4655(86)90169-4
Fack, V., Vanden Berghe, G. (1986) A program for the calculation of energy eigenvalues and eigenstates of a schrödinger equation. Computer Physics Communications, 39. 187-196 doi:10.1016/0010-4655(86)90130-x
Scuseria, Gustavo E. (1986) Second-order polarization propagator calculations of nuclear spin-spin coupling constants for some molecules with multiple bonds. Chemical Physics Letters, 127. 236-241 doi:10.1016/0009-2614(86)80264-0
(1986) Program index to volume 39. Computer Physics Communications, 39. 457-460 doi:10.1016/0010-4655(86)90104-9
 
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