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Charge distributions and chemical effects. XLII. Atomic charges and their role in energy calculations

✍ Scribed by S. Fliszár

Publisher
John Wiley and Sons
Year
1986
Tongue
English
Weight
350 KB
Volume
29
Category
Article
ISSN
0020-7608

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Systematic analysis of substituent effects. II. Charges and energies of atoms in fluorochloroethanes
✍ Jerzy Cioslowski; Tereza Varnali 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 302 KB

Valuable insights into the nature of substituent effects are obtained by analyzing the variability of quantum mechanically defined fragment properties in terms of additive contributions. With the set of 92 fluorochloroethanes used as an example, the question of the relative importance of the direct