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more..
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For a comprehensive review of the ab initio methods and all-electron basis sets employed in this work, see: Hehre, W. J.; Radom, L.; Schleyer, P. v. R.; Pople, J. A. Ab Initio Molecular Orbital Theory; Wiley: New York, 1986.
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2642615329
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note
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Natural charges for the planar and saddle point geometries of formamide and thioformamide were previously reported by Wiberg and -Rablen (ref 9) at the MP2(full)/6-31+G* level but were not discussed in detail.
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