Quantum-chemical investigation of the structures and electronic spectra of the nucleic acid bases at the coupled cluster CC2 level

Journal of Physical Chemistry A

Volumn 111, Issue 25, 2007, Pages 5482-5491

  Fleig, Timo ^a   Knecht, Stefan ^a   Hättig, Christof ^b  

^a HEINRICH HEINE UNIVERSITY   (Germany)

^b RUHR UNIVERSITY BOCHUM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON CORRELATIONS; ELECTRONIC STRUCTURE; EXCITATION ENERGY; EXCITED STATES; MOLECULAR STRUCTURE; QUANTUM CHEMISTRY;

CORRELATION EFFECTS; ELECTRON INTERACTION INTEGRALS;

NUCLEIC ACIDS;

ADENINE; CARBON; CYTOSINE; GUANINE; HYDROGEN; NITROGEN; NUCLEIC ACID; THYMINE; URACIL;

ALGORITHM; ARTICLE; CHEMISTRY; COMPARATIVE STUDY; ELECTRON; QUANTUM THEORY; SPECTROPHOTOMETRY; THERMODYNAMICS;

ADENINE; ALGORITHMS; CARBON; CYTOSINE; ELECTRONS; GUANINE; HYDROGEN; NITROGEN; NUCLEIC ACIDS; QUANTUM THEORY; SPECTROPHOTOMETRY; THERMODYNAMICS; THYMINE; URACIL;

EID: 34547256969     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0669409     Document Type: Article

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