Quantum Chemistry in Solution: Fiftieth Anniversary.

Chemphyschem : a European journal of chemical physics and physical chemistry(2023)

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摘要
In this perspective, we briefly present the historical context in which, fifty years ago, dielectric continuum models were developed to incorporate solvent effects into quantum mechanical calculations. Since the first self-consistent-field equations including the solvent electrostatic potential (or reaction field) were reported in 1973, continuum models have become extremely popular in the computational chemistry community and are routinely used in a very wide range of applications.
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quantum,chemistry
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