메뉴 건너뛰기




Volumn 1553, Issue 3, 2002, Pages 183-187

Change in electron and spin density upon electron transfer to haem

Author keywords

Density functional; Haem charge; Quantum chemistry

Indexed keywords

HEME; IRON; PORPHYRIN;

EID: 0037085025     PISSN: 00052728     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0005-2728(02)00182-2     Document Type: Article
Times cited : (47)

References (22)
  • 7
    • 0000189651 scopus 로고
    • Density-functional thermochemistry. III. The role of exact exchange
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648-5652
    • Becke, A.D.1
  • 13
    • 4243553426 scopus 로고
    • Density-functional exchange-energy approximation with correct asymptotic behavior
    • (1988) Phys. Rev. A , vol.38 , pp. 3098-3100
    • Becke, A.D.1
  • 14
    • 5944261746 scopus 로고
    • Density-functional approximation for the correlation energy of the inhomogeneous electron gas
    • (1986) Phys. Rev. B , vol.33 , pp. 8822-8824
    • Perdew, J.P.1
  • 16
    • 0008949428 scopus 로고
    • Analysis of the spin density for an excited triplet state of the permanganate ion
    • (1989) Chem. Phys. Lett. , vol.156 , pp. 592-594
    • Johansen, H.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.