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Volumn 133, Issue 16, 2010, Pages

Strong electron correlation in the decomposition reaction of dioxetanone with implications for firefly bioluminescence

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE ORBITALS; ACTIVE SPACES; CARBONYL OXYGEN; CONICAL INTERSECTION; CUMULANTS; DECOMPOSITION REACTION; DIAGONALIZATIONS; FOUR ELECTRONS; INFINITY NORM; KEY COMPONENT; MULTIREFERENCE WAVE FUNCTIONS; ORBITALS; OXYGEN BONDS; SEMIDEFINITE OPTIMIZATION; SMALL VARIATIONS; SPACE SIZE; STRONG ELECTRON CORRELATIONS; TWO-ELECTRON REDUCED-DENSITY-MATRIX (2-RDM); VARIATIONAL CALCULATION; VON NEUMANN ENTROPY; WAVE FUNCTION METHOD;

EID: 78149363124     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3501250     Document Type: Article
Times cited : (71)

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