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Valence Topological Charge-Transfer Indices for Reflecting Polarity: Correction for Heteromolecules
Valence topological charge-transfer (CT) indices are applied to the calculation of dipole moments μ. The μ calculated by algebraic and vector semisums of the CT indices are defined. The model is generalized for molecules with heteroatoms and corrected for sp(3)-heteromolecules. The ability of the in...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2005
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6147670/ https://www.ncbi.nlm.nih.gov/pubmed/18007304 http://dx.doi.org/10.3390/10020334 |