Abstract
A study is made of the modifications of the electrostatic molecular potential brought about by hydrogen bonding both in the hydrogen-bond region itself and in the external regions of the proton-acceptor and proton-donor molecules. Systems up to four successive units in a chain of donor-acceptors are considered. The possibility of obtaining a satisfactory picture of the global potential by a simple superposition of the potentials of the individual units is evaluated.
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Pullman, A., Berthod, H. Electrostatic molecular potentials in hydrogen-bonded systems. Theoret. Chim. Acta 48, 269–277 (1978). https://doi.org/10.1007/PL00020127
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DOI: https://doi.org/10.1007/PL00020127