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- W2028049573 abstract "The stereochemistry of the intramolecular hydrogen bond is studied, using the CNDO/2 method to calculate the potential energy surfaces which describe the movement of the hydrogen atom of this bond, in the ground and lowest excited singlet states of the salicylic acid molecule. The results are in good agreement with the position found experimentally for the hydrogen atom in the ground state of the molecule as well as with the existence of a tautomeric equilibrium displaced toward the zwitterion from the 1Lb excited state." @default.
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- W2028049573 title "A theoretical study of the stereochemistry of the intramolecular hydrogen bond of salicylic acid" @default.
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