Semantic Scholar Open Access 2016 1062 sitasi

Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity

L. Domingo M. Ríos‐Gutiérrez P. Pérez

Lihat Sumber DOI

Abstrak

Theoretical reactivity indices based on the conceptual Density Functional Theory (DFT) have become a powerful tool for the semiquantitative study of organic reactivity. A large number of reactivity indices have been proposed in the literature. Herein, global quantities like the electronic chemical potential μ, the electrophilicity ω and the nucleophilicity N indices, and local condensed indices like the electrophilic Pk+ and nucleophilic Pk− Parr functions, as the most relevant indices for the study of organic reactivity, are discussed.

Topik & Kata Kunci

Chemistry Medicine

Penulis (3)

L. Domingo

M. Ríos‐Gutiérrez

P. Pérez

Format Sitasi

APA MLA BibTeX

Domingo, L., Ríos‐Gutiérrez, M., Pérez, P. (2016). Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity. https://doi.org/10.3390/molecules21060748

Akses Cepat

Lihat di Sumber doi.org/10.3390/molecules21060748

Informasi Jurnal

Tahun Terbit: 2016
Bahasa: en
Total Sitasi: 1062×
Sumber Database: Semantic Scholar
DOI: 10.3390/molecules21060748
Akses: Open Access ✓