Abstract
The relationship between molecular structure and chemical reactivity does not need to be emphazised, and the success of quantum chemistry in computing the electronic properties of a molecule is well established nowadays. Nevertheless it is worth recalling that quantum chemical techniques deal with small molecular systems which are either isolated or which undergo a well defined external perturbation. As soon as one extends the concept of individual molecules to a liquid, one is faced with quite a different situation, in which the modifications introduced by the liquid surroundings on the molecular structure may be far from negligible.
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© 1988 Plenum Press, New York
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Rivail, JL. (1988). Liquid State Quantum Chemistry: Application to Reactivity. In: Moreau, M., Turq, P. (eds) Chemical Reactivity in Liquids. Springer, Boston, MA. https://doi.org/10.1007/978-1-4613-1023-5_15
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DOI: https://doi.org/10.1007/978-1-4613-1023-5_15
Publisher Name: Springer, Boston, MA
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