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Volumn 48, Issue 5, 2009, Pages 2224-2232

Determination of the metal - dithiolate fold angle in mononuclear molybdenum(V) centers by EPR spectroscopy

Author keywords

[No Author keywords available]

Indexed keywords

METAL; MOLYBDENUM; OXIDOREDUCTASE; THIOL DERIVATIVE;

EID: 64549123068     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic802343f     Document Type: Article
Times cited : (20)

References (63)
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    • The SpecialGridlntAcc parameter in ORCA was set to 14, 7, 5, and 5 for Mo, S, N, and O atoms, respectively.
    • The SpecialGridlntAcc parameter in ORCA was set to 14, 7, 5, and 5 for Mo, S, N, and O atoms, respectively.
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    • The precise energy minimum may differ in the present instance, due to the inclusion of relativistic terms at the all-electron level instead of using effective core potentials
    • The precise energy minimum may differ in the present instance, due to the inclusion of relativistic terms at the all-electron level instead of using effective core potentials.
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    • The magnitude of any of the individual DOMO, SOMO and SOMO VMO transitions is also small data not shown
    • The magnitude of any of the individual DOMO - SOMO and SOMO VMO transitions is also small (data not shown).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.