Equilibrium Constants, Temperature, and Solvent Effects

There is an evolution with time the older calculations correspond to isolated molecules in the gas phase without any corrections, the more recent ones include solvent effects, with different approximations, and also some corrections, like ZPE (zero-point energy correction). The contributions of some authors to the understanding of tautomerism have been significant. Some of their contributions are collected in Table II. 

The main theoretical studies can be divided into five fields (Table III). We discuss an example of each field in the gas phase and in solution, conclud- 

Adamowicz, A. Les 89CPL(161)73,89JPC7078 90JPC7021 93MI(224)13, 93MI(228)1 94CPL(225)265,94MI(231)61 

Leszczynski 90CPL(173)371 93JPC3520 94THE(311)37 95STC281 97JPC( A)4753 98JPC(A)2357 

Aminoacids and other molecules of biological interest. Histamine 14, like guanine, has nonstandard numbering tautomers 14a and 14b are called N(3)H and N(1)H instead of 4- and 5-aminoethyl, like other imidazoles. In 

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