DFT study of the biphenylene-NO2+ complexes formed in nitration mechanism

Journal of Physical Organic Chemistry

Volumn 21, Issue 11, 2008, Pages 971-978

  Roohi, Hossein ^a  

^a UNIVERSITY OF SISTAN AND BALUCHESTAN   (Iran)

Author keywords

AIM; Biphenylene; DFT; NBO; NICS; Nitration

Indexed keywords

ASYMPTOTIC ANALYSIS; ATOMIC PHYSICS; ATOMS; CHEMICAL BONDS; ELECTROSTATICS; FLOW INTERACTIONS; NITRATION; OXYGEN; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; TWO DIMENSIONAL;

AIM; BIPHENYLENE; DFT; NBO; NICS;

BACKPROPAGATION;

EID: 55849087603     PISSN: 08943230     EISSN: 10991395     Source Type: Journal    
DOI: 10.1002/poc.1408     Document Type: Article

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