Intersystem crossings of the triplet and singlet states in cobalt and copper mononitrosyls

Journal of Physical Chemistry A

Volumn 113, Issue 42, 2009, Pages 11266-11272

  Uzunova, Ellie L ^a  

^a INSTITUTE OF GENERAL AND INORGANIC CHEMISTRY   (Bulgaria)

Author keywords

[No Author keywords available]

Indexed keywords

AR ATOM; AR-MATRIX; BOUND STATE; CAS-SCF; CCSD; COMPLETE ACTIVE SPACE; CONICAL INTERSECTION; COUPLED-CLUSTER METHODS; DISSOCIATION LIMIT; EXPERIMENTAL DATA; FORBIDDEN TRANSITIONS; GAS PHASE MOLECULES; HIGH ENERGY; INTERSYSTEM CROSSING; LOCAL MINIMUMS; LOW-LYING EXCITED STATE; METAL CENTERS; NOBLE-GAS MATRICES; QUINTET STATE; RELATIVE STABILITIES; SINGLET STATE; SMALL ENERGY; STABLE CONFIGURATION; TRANSITION STATE; TRIPLET STATE; VIBRATIONAL FREQUENCIES;

ACTIVATION ENERGY; COBALT; COPPER; ENERGY GAP; GROUND STATE; INERT GASES; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SOLIDS; THERMODYNAMIC STABILITY;

MATRIX ALGEBRA;

EID: 70350170410     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9069916     Document Type: Article

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