Molecular structures of free-base corroles: Nonplanarity, chirality, and enantiomerization

Journal of Physical Chemistry A

Volumn 119, Issue 14, 2015, Pages 3452-3457

  Capar, Jan ^a   Conradie, Jeanet ^a,b   Beavers, Christine M ^c   Ghosh, Abhik ^a  

^a UNIVERSITY OF TROMSØ   (Norway)

^b UNIVERSITY OF THE FREE STATE   (South Africa)

^c LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; HYDROGEN; HYDROGEN BONDS; MOLECULAR STRUCTURE; MOLECULES; POTENTIAL ENERGY; STEREOCHEMISTRY;

ACTIVATION BARRIERS; DFT CALCULATION; ENANTIOMERIZATION; ENERGY CALCULATION; INTERMOLECULAR HYDROGEN BONDING; NONBONDED INTERACTION; PENTAFLUOROPHENYL; STERIC INTERACTIONS;

POLYPYRROLES;

EID: 84927130353     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp511188c     Document Type: Article

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