Gauge-origin-independent coupled cluster singles and doubles calculation of magnetic circular dichroism of azabenzenes and phosphabenzene using London orbitals

Journal of Physical Chemistry A

Volumn 111, Issue 44, 2007, Pages 11278-11286

  Kjærgaard, Thomas ^a   Jansík, Branislav ^a   Jørgensen, Poul ^a   Coriani, Sonia ^b   Michl, Josef ^c  

^a AARHUS UNIVERSITY   (Denmark)

^b UNIVERSITY OF TRIESTE   (Italy)

^c UNIVERSITY OF COLORADO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; DICHROISM; EXCITATION ENERGY; FARADAY EFFECT; PYRIDINE;

MAGNETIC CIRCULAR DICHROISMS; PHOSPHABENZENES; PHOTON DIPOLE TRANSITION STRENGTH; PYRAZINES;

AZOBENZENE;

EID: 36349027988     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp071726l     Document Type: Article

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