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Volumn 101, Issue 1, 1997, Pages 83-89

Atomistic simulations of oleic imidazolines bound to ferric clusters

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CALCULATIONS; COMPUTER SIMULATION; CORROSION INHIBITORS; IRON COMPOUNDS; MOLECULES; QUANTUM THEORY;

EID: 0031546376     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp962041g     Document Type: Article
Times cited : (74)

References (19)
  • 5
    • 85033167088 scopus 로고    scopus 로고
    • 3+ is high spin (S = 5/2) so that the UHF wave function was used
    • 3+ is high spin (S = 5/2) so that the UHF wave function was used.
  • 10
    • 0006073669 scopus 로고
    • Hay, P. J.; Wadt, W. R. J. Chem. Phys. 1985, 82, 270; ibid, 1985, 82, 284.
    • (1985) J. Chem. Phys. , vol.82 , pp. 284


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.