Electronic structure of phenyl cation by MC SCF ab initio calculations
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference17 articles.
1. Reactions of helium tritide ions with gaseous hydrocarbons. V. cis- and trans-1,2-Dimethylcyclopropane. Unambiguous evidence for gaseous protonated cyclopropanes
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1. DFT evidence for hydride transfer from aromatic C H bond to superelectrophile in reactions of 1,3,5-Ad3C6H3 with CBr3+ Al2Br7− and 1,3,5-Ad3C6H3 with CBr3+ Al2Br7− and CO;Molecular Catalysis;2020-02
2. DFT B3LYP/6-311+G* calculation study of a new nonclassical mechanism of electrophilic functionalization of aromatic C–H bond via aryl cation formation;Mendeleev Communications;2019-05
3. DFT mechanistic study of reactions of С6H6 and 1,3,5-Ad3C6H3 with CBr3. The first example of hydride transfer from aromatic C H bond to electrophile;Journal of Molecular Catalysis A: Chemical;2017-01
4. How to Make the σ0π2 Singlet the Ground State of Carbenes;Journal of the American Chemical Society;2013-09-05
5. Singlet–triplet excitation energies of naphthyl cations: High level composite method calculations suggest a singlet ground state;Computational and Theoretical Chemistry;2012-03
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