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Electrostatic molecular potential as a static index in the study of aromatic substitutions

✍ Scribed by Juan Bertrán; Estanislao Silla; Ramón Carbó; Miguel Martín

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
390 KB
Volume
31
Category
Article
ISSN
0009-2614

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📜 SIMILAR VOLUMES

Molecular electrostatic potential of sub
Molecular electrostatic potential of substituted aromatic compounds: Factors affecting the differences between Ab Initio and semiempirical results
✍ L. Bonati; U. Cosentino; E. Fraschini; G. Moro; D. Pitea 📂 Article 📅 1992 🏛 John Wiley and Sons 🌐 English ⚖ 814 KB

## Abstract The molecular electrostatic potential (MEP) distribution of anisole, chlorobenzene, and fluorobenzene obtained from STO‐3G, 3‐21G, and 6‐31G\* basis set __ab initio__ and MNDO and AM1 semiempirical wave functions is investigated to explain the differences among the MEP features obtained