Ab initio determination of substituent constants in a density functional theory formalism: calculation of intrinsic group electronegativity, hardness, and softness.
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| Title: | Ab initio determination of substituent constants in a density functional theory formalism: calculation of intrinsic group electronegativity, hardness, and softness. |
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| Authors: | De Proft, F., Langenaeker, W., Geerlings, P. |
| Source: | Journal of Physical Chemistry; March 4 1993, Vol. 97, p1826-1831, 6p |
| Database: | Applied Science & Technology Source |
| ISSN: | 00223654 |
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| DOI: | 10.1021/j100111a018 |
