Reparametrizing MNDO for excited-state calculations by using ab initio effective hamiltonian theory: Application to the 2,4-pentadien-1-iminium cation

Journal of Physical Chemistry A

Volumn 102, Issue 5, 1998, Pages 852-860

  Martin, Charles H ^a   Birge, Robert R ^a  

^a SYRACUSE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CORRELATION METHODS; ELECTRON ENERGY LEVELS; ELECTRONS; INTEGRAL EQUATIONS; PARAMETER ESTIMATION;

AB INITIO EFFECTIVE VALENCE SHELL HAMILTONIAN THEORY; PENTADIEN IMINIUM;

IONS;

EID: 0031650023     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9722972     Document Type: Article

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