Transmission of spin-spin coupling constants through different paths in bicyclo(2,2,1)heptane: their calculation using inner projections of the polarization propagator

Inner projections of the polarization propagator are used to calculate components of the Fermi contact interaction between protons attached to the bridgehead carbon atoms of bicyclo(2,2,1)Heptane. Four- and five-bond paths and throuh-space interaction are considered. Reasonable path additivity and a...

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Autores principales: Scuseria, G.E., Facelli, J.C., Contreras, R.H., Engelmann, A.R.
Formato: JOUR
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00092614_v96_n5_p560_Scuseria
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
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spelling todo:paper_00092614_v96_n5_p560_Scuseria2023-10-03T14:08:34Z Transmission of spin-spin coupling constants through different paths in bicyclo(2,2,1)heptane: their calculation using inner projections of the polarization propagator Scuseria, G.E. Facelli, J.C. Contreras, R.H. Engelmann, A.R. Inner projections of the polarization propagator are used to calculate components of the Fermi contact interaction between protons attached to the bridgehead carbon atoms of bicyclo(2,2,1)Heptane. Four- and five-bond paths and throuh-space interaction are considered. Reasonable path additivity and agreement with experimental data are found at the INDO level. © 1983. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_00092614_v96_n5_p560_Scuseria
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
description Inner projections of the polarization propagator are used to calculate components of the Fermi contact interaction between protons attached to the bridgehead carbon atoms of bicyclo(2,2,1)Heptane. Four- and five-bond paths and throuh-space interaction are considered. Reasonable path additivity and agreement with experimental data are found at the INDO level. © 1983.
format JOUR
author Scuseria, G.E.
Facelli, J.C.
Contreras, R.H.
Engelmann, A.R.
spellingShingle Scuseria, G.E.
Facelli, J.C.
Contreras, R.H.
Engelmann, A.R.
Transmission of spin-spin coupling constants through different paths in bicyclo(2,2,1)heptane: their calculation using inner projections of the polarization propagator
author_facet Scuseria, G.E.
Facelli, J.C.
Contreras, R.H.
Engelmann, A.R.
author_sort Scuseria, G.E.
title Transmission of spin-spin coupling constants through different paths in bicyclo(2,2,1)heptane: their calculation using inner projections of the polarization propagator
title_short Transmission of spin-spin coupling constants through different paths in bicyclo(2,2,1)heptane: their calculation using inner projections of the polarization propagator
title_full Transmission of spin-spin coupling constants through different paths in bicyclo(2,2,1)heptane: their calculation using inner projections of the polarization propagator
title_fullStr Transmission of spin-spin coupling constants through different paths in bicyclo(2,2,1)heptane: their calculation using inner projections of the polarization propagator
title_full_unstemmed Transmission of spin-spin coupling constants through different paths in bicyclo(2,2,1)heptane: their calculation using inner projections of the polarization propagator
title_sort transmission of spin-spin coupling constants through different paths in bicyclo(2,2,1)heptane: their calculation using inner projections of the polarization propagator
url http://hdl.handle.net/20.500.12110/paper_00092614_v96_n5_p560_Scuseria
work_keys_str_mv AT scuseriage transmissionofspinspincouplingconstantsthroughdifferentpathsinbicyclo221heptanetheircalculationusinginnerprojectionsofthepolarizationpropagator
AT facellijc transmissionofspinspincouplingconstantsthroughdifferentpathsinbicyclo221heptanetheircalculationusinginnerprojectionsofthepolarizationpropagator
AT contrerasrh transmissionofspinspincouplingconstantsthroughdifferentpathsinbicyclo221heptanetheircalculationusinginnerprojectionsofthepolarizationpropagator
AT engelmannar transmissionofspinspincouplingconstantsthroughdifferentpathsinbicyclo221heptanetheircalculationusinginnerprojectionsofthepolarizationpropagator
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