Calculations of the relative energies of the low-lying electronic states of 2-methylenedihydrophenalene-1,3-diyl: Effects of a 1,8-naphtho bridging group on trimethylenemethane and of a vinylidene bridging group on 1,8-naphthoquinodimethane

Journal of Physical Chemistry A

Volumn 113, Issue 5, 2009, Pages 895-901

  Dong, Hao ^a   Hrovat, David A ^a   Quast, Helmut ^b   Borden, Weston Thatcher ^a  

^a UNIVERSITY OF NORTH TEXAS   (United States)

^b UNIVERSITY OF WÜRZBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BRIDGING GROUPS; CAS-SCF; COMPUTATIONAL RESULTS; DIRADICAL; DIRADICALS; ENERGY DIFFERENCES; FERROMAGNETIC COUPLINGS; LOW-LYING ELECTRONIC STATE; RELATIVE ENERGIES; TRIMETHYLENEMETHANE;

HYDROCARBONS; MOLECULAR GRAPHICS;

ELECTRONIC STATES;

EID: 61749094390     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp809715v     Document Type: Article

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