MP2 and DFT calculations on circulenes and an attempt to prepare the second lowest benzolog, [4]circulene

Chemistry - A European Journal

Volumn 14, Issue 18, 2008, Pages 5604-5616

  Christoph, Hilmar ^a   Grunenberg, Jörg ^a   Hopf, Henning ^a   Dix, Ina ^a   Jones, Peter G ^a   Scholtissek, Martin ^b   Maier, Günther ^b  

^a TECHNICAL UNIVERSITY OF BRAUNSCHWEIG   (Germany)

^b JUSTUS LIEBIG UNIVERSITY   (Germany)

Author keywords

Circulenes; Density functional calculations; Pyrolysis; Structure elucidation; Thiols

Indexed keywords

ABS RESINS; CHEMICAL REACTIONS; DEHALOGENATION; DESULFURIZATION; DISCRETE FOURIER TRANSFORMS; PETROLEUM PRODUCTS; PROBABILITY DENSITY FUNCTION; SODIUM;

CIRCULENES; DENSITY FUNCTIONAL CALCULATIONS; PYROLYSIS; STRUCTURE ELUCIDATION; THIOLS;

SULFUR COMPOUNDS;

EID: 53949106310     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200701837     Document Type: Article

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