Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry

Article English OPEN
Luis R. Domingo (2016)
  • Publisher: MDPI AG
  • Journal: Molecules (issn: 1420-3049)
  • Related identifiers: doi: 10.3390/molecules21101319
  • Subject: molecular electron density theory | DFT reactivity indices | electron localisation function | non-covalent interactions | electron density | molecular mechanisms | chemical reactivity | Organic chemistry | QD241-441

A new theory for the study of the reactivity in Organic Chemistry, named Molecular Electron Density Theory (MEDT), is proposed herein. MEDT is based on the idea that while the electron density distribution at the ground state is responsible for physical and chemical mol... View more
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