Probing the proton-transfer coordinate o
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Janet E. Del Bene; José Elguero
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Article
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2007
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John Wiley and Sons
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English
⚖ 428 KB
## Abstract Scalar coupling constants have been computed using the EOM‐CCSD method for equilibrium structures of complexes stabilized by FH…P hydrogen bonds, as well as structures along the proton‐transfer coordinates of these complexes. Variations in the signs and absolute values of ^1^__J__(FH)