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- W2059093907 abstract "By the semiempirical all-valence MNDO, AM1 and PM3 methods, standard values of entropy, heats and changes in isobaric-isothermal potentials of formation, first ionization potentials and dipole moments have been calculated for 64 compounds belonging to the CH3X, n-C5H11X and C6H5X series. Linear dependences Pexper = bPtheor (where P is any of the mentioned properties) have been stated. Deviations from the above correlations have been noted." @default.
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- W2059093907 date "1997-03-01" @default.
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- W2059093907 title "Semiempirical quantum chemical methods: testing of physicochemical properties of acyclic and aromatic compounds" @default.
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- W2059093907 doi "https://doi.org/10.1016/s0166-1280(97)90389-4" @default.
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