论文信息 - Ground states of molecules. 67. MNDO Calculations for compounds containing iodine - 字舞流文

Ground states of molecules. 67. MNDO Calculations for compounds containing iodine

MNDO has been parametrized for iodine. Since d atomic orbitals (AOS) are not included, the calculations are restricted to II. Heats of formation, molecular geometries, ionization energies, and dipole moments are reproduced with useful accuracy.

James J. P. Stewart | Eamonn F. Healy | Michael J. S. Dewar | M. Dewar | J. Stewart

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