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Inductive or Field Substituent Effect? Quantum Chemical Modeling of Interactions in 1-Monosubstituted Bicyclooctane Derivatives
[Image: see text] Inductive substituent constants were obtained for systems lacking the resonance effect. The application of the charge of the substituent active region concept to study the substituent effect in 1-X-substituted bicyclooctane derivatives (B3LYP/6-311++G** calculations, X = NMe(2), NH...
Autores principales: | Szatylowicz, Halina, Siodła, Tomasz, Krygowski, Tadeusz M. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2017
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6641047/ https://www.ncbi.nlm.nih.gov/pubmed/31457538 http://dx.doi.org/10.1021/acsomega.7b00390 |
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