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- W1986941827 abstract "We report a MRCI study of the A1Pi potential energy curve of CO. The calculated ab initio energies are analytically modeled using the EHFACE2 and RKHS methods. A barrier of approximately 730 cm-1 is predicted at an internuclear distance of approximately 4.2a0 in agreement with previous calculations and spectroscopic measurements. The origin of such a barrier is briefly discussed. Copyright 1998 Academic Press." @default.
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- W1986941827 date "1998-11-01" @default.
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- W1986941827 title "Ab InitioMRCI Calculation and Modeling of theA1ΠPotential Energy Curve of CO" @default.
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- W1986941827 doi "https://doi.org/10.1006/jmsp.1998.7686" @default.
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