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- W2045292238 abstract "The solvent effect of all the ions and their tautomers and conformers were investigated by the program FORSOL. Solvent polarity dependences of the electronic and binding energies, rotational barriers and equilibrium geometries were calculated for altogether 20 structures. For the pyrazinate ion these calculations were completed with the investigation of the atom-solvaton (image charge in the solvent) distance dependences of the mentioned properties." @default.
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- W2045292238 date "1990-03-01" @default.
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- W2045292238 title "Theoretical investigation of the solvent effect of pyrazinic acid" @default.
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- W2045292238 doi "https://doi.org/10.1016/0167-7322(90)80009-9" @default.
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