Synthesis, structural elucidation and DFT studies of ortho-hydroxy acetophenones

Journal of Molecular Structure

Volumn 936, Issue 1-3, 2009, Pages 277-282

  Seth, Saikat K ^a,b   Hazra, Dipak K ^a   Mukherjee, Monika ^a   Kar, Tanusree ^a  

^a DEPARTMENT OF MATERIALS SCIENCE   (India)

^b Department of Physics ^*  (India)

Author keywords

Acetophenone; Crystal structure; DFT studies; HOMO LUMO energies

Indexed keywords

ACETOPHENONE; ACETOPHENONES; CRYSTAL PACKINGS; DFT LEVELS; DFT STUDIES; DFT STUDY; HOMO-LUMO ENERGIES; HYBRID EXCHANGE; MOLECULAR GEOMETRIES; MONOCLINIC SYSTEMS; ORTHORHOMBIC SYSTEMS; SPACE GROUPS; STRUCTURAL ELUCIDATION; TWO-DIMENSIONAL NETWORKS; X-RAY STRUCTURAL STUDY;

AMORPHOUS ALLOYS; BINDING SITES; COMPLEXATION; ELECTRONIC STRUCTURE; HYDROGEN; HYDROGEN BONDS; KETONES; PROBABILITY DENSITY FUNCTION; SYNTHESIS (CHEMICAL);

CRYSTAL STRUCTURE;

EID: 70349122493     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2009.08.013     Document Type: Article

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