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Volumn 49, Issue 19, 2010, Pages 8769-8778

Electron paramagnetic resonance studies of nitrosyl and thionitrosyl and density functional theory studies of nitrido, nitrosyl, thionitrosyl, and selenonitrosyl complexes of chromium

Author keywords

[No Author keywords available]

Indexed keywords

CHROMIUM; NITROSO DERIVATIVE; ORGANOMETALLIC COMPOUND; SELENIUM;

EID: 77957266916     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic1009797     Document Type: Article
Times cited : (17)

References (53)
  • 24
    • 77957270709 scopus 로고    scopus 로고
    • note
    • It should be noted that the ADF and ORCA programs use slightly different formalisms. ADF employ Slater-type orbitals (STOs) as basis sets, whereas ORCA uses Gaussian-type orbitals (GTOs). Even though little deviation is expected between the two different formalisms when comparable basis sets are used, the differences have always been investigated explicitly and found to be small.
  • 28
    • 77957255940 scopus 로고    scopus 로고
    • TurboMole basis set library under
    • TurboMole basis set library under ftp.chemie.uni-karlsruhe.de/pub/basen.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.