Role of electron correlation in the polydeprotonation of benzene to form trianions

Journal of Physical Organic Chemistry

Volumn 27, Issue 7, 2014, Pages 565-582

  Vikas, ^a   Sangwan, Poonam ^a  

^a PANJAB UNIVERSITY   (India)

Author keywords

ab initio calculations; deprotonation energy; DFT; electron correlation; trianions of benzene

Indexed keywords

ELECTRON CORRELATIONS; GROUND STATE; QUANTUM THEORY;

AB INITIO CALCULATIONS; DEPROTONATION ENERGIES; DFT; EXCHANGE-CORRELATION FUNCTIONALS; QUANTUM MECHANICAL METHOD; SINGLET AND TRIPLET STATE; TRIANIONS; ZERO-POINT ENERGY CORRECTION;

BENZENE;

EID: 84902123641     PISSN: 08943230     EISSN: 10991395     Source Type: Journal    
DOI: 10.1002/poc.3302     Document Type: Article

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