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Volumn 24, Issue 3, 2005, Pages 395-404

Spectroscopic and computational investigations of the temperature-dependent emission behavior of [Re(CNx) 5Cl] and [Re(CNx) 6] + complexes

Author keywords

[No Author keywords available]

Indexed keywords

CRYOGENIC PROTECTANTS; DATA COLLECTION; LIGANDS; X-RAY TUBES;

EID: 13444279110     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om049443s     Document Type: Article
Times cited : (21)

References (53)
  • 44
    • 13444299531 scopus 로고    scopus 로고
    • note
    • Geometry optimization in solvents was not achieved. Partial optimizations (change in distance of less than 0.001 Å and change in angles of leu than 0.01°) followed by TDDFT/CPCM calculation produced excited-state energies that were not in better agreement with the experimental excited-state energies than the excited-state energies based on the gas phase optimized geometry.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.