메뉴 건너뛰기




Volumn 16, Issue 6, 2011, Pages 819-820

Ab initio wavefunctions in bioinorganic chemistry: More than a succès d'estime?

Author keywords

[No Author keywords available]

Indexed keywords

TRANSITION ELEMENT;

EID: 80051548894     PISSN: 09498257     EISSN: 14321327     Source Type: Journal    
DOI: 10.1007/s00775-011-0816-5     Document Type: Note
Times cited : (8)

References (16)
  • 1
    • 33746218422 scopus 로고    scopus 로고
    • Transition metal spin state energetics and noninnocent systems: Challenges for DFT in the bioinorganic arena
    • DOI 10.1007/s00775-006-0135-4
    • A Ghosh 2006 J Biol Inorg Chem 11 712 724 16841211 10.1007/s00775-006- 0135-4 1:CAS:528:DC%2BD28Xnt1aitro%3D (Pubitemid 44100466)
    • (2006) Journal of Biological Inorganic Chemistry , vol.11 , Issue.6 , pp. 712-724
    • Ghosh, A.1
  • 2
    • 0034794787 scopus 로고    scopus 로고
    • High-valent transition metal centers and noninnocent ligands in metalloporphyrins and related molecules: A broad overview based on quantum chemical calculations
    • DOI 10.1007/s007750100275
    • A Ghosh 2001 J Biol Inorg Chem 6 739 752 11681708 10.1007/s007750100275 1:CAS:528:DC%2BD3MXnvF2qtbs%3D (Pubitemid 32938786)
    • (2001) Journal of Biological Inorganic Chemistry , vol.6 , Issue.7 , pp. 739-752
    • Ghosh, A.1    Steene, E.2
  • 4
    • 0037305747 scopus 로고    scopus 로고
    • High-level ab initio calculations on the energetics of low-lying spin states of biologically relevant transition metal complexes: A first progress report
    • DOI 10.1016/S1367-5931(02)00023-6
    • A Ghosh PR Taylor 2003 Curr Opin Chem Biol 7 113 124 12547436 10.1016/S1367-5931(02)00023-6 1:CAS:528:DC%2BD3sXltlejtw%3D%3D (Pubitemid 36126502)
    • (2003) Current Opinion in Chemical Biology , vol.7 , Issue.1 , pp. 113-124
    • Ghosh, A.1    Taylor, P.R.2
  • 5
    • 0032948388 scopus 로고    scopus 로고
    • 10.1021/ar960091y 1:CAS:528:DyaK1cXnt1Cmtbo%3D
    • BO Roos 1999 Acc Chem Res 32 137 144 10.1021/ar960091y 1:CAS:528:DyaK1cXnt1Cmtbo%3D
    • (1999) Acc Chem Res , vol.32 , pp. 137-144
    • Roos, B.O.1
  • 6
    • 0037159973 scopus 로고    scopus 로고
    • 10.1063/1.1515317 1:CAS:528:DC%2BD38Xos1SnsLk%3D
    • C Angeli R Cimiraglia JP Malrieu 2002 J Chem Phys 117 9138 9153 10.1063/1.1515317 1:CAS:528:DC%2BD38Xos1SnsLk%3D
    • (2002) J Chem Phys , vol.117 , pp. 9138-9153
    • Angeli, C.1    Cimiraglia, R.2    Malrieu, J.P.3
  • 7
    • 79951519889 scopus 로고    scopus 로고
    • 21303107 10.1063/1.3537740
    • D Datta D Mukherjee 2011 J Chem Phys 134 054122 21303107 10.1063/1.3537740
    • (2011) J Chem Phys , vol.134 , pp. 054122
    • Datta, D.1    Mukherjee, D.2
  • 8
    • 0043056481 scopus 로고    scopus 로고
    • 10.1063/1.478523 1:CAS:528:DyaK1MXitVCmt7c%3D
    • US Mahapatra B Datta D Mukherjee 1999 J Chem Phys 110 6171 6188 10.1063/1.478523 1:CAS:528:DyaK1MXitVCmt7c%3D
    • (1999) J Chem Phys , vol.110 , pp. 6171-6188
    • Mahapatra, U.S.1    Datta, B.2    Mukherjee, D.3
  • 10
    • 33645327731 scopus 로고    scopus 로고
    • 10.1021/ct050086s 1:CAS:528:DC%2BD2MXksl2ntLc%3D
    • A Ghosh PR Taylor 2005 J Chem Theory Comput 1 597 600 10.1021/ct050086s 1:CAS:528:DC%2BD2MXksl2ntLc%3D
    • (2005) J Chem Theory Comput , vol.1 , pp. 597-600
    • Ghosh, A.1    Taylor, P.R.2
  • 13
    • 34547725316 scopus 로고    scopus 로고
    • 17488054 10.1021/ar600042c 1:CAS:528:DC%2BD2sXltVKqtbY%3D
    • S Shaik H Hirao D Kumar 2007 Acc Chem Res 40 532 542 17488054 10.1021/ar600042c 1:CAS:528:DC%2BD2sXltVKqtbY%3D
    • (2007) Acc Chem Res , vol.40 , pp. 532-542
    • Shaik, S.1    Hirao, H.2    Kumar, D.3
  • 15
    • 80755187418 scopus 로고    scopus 로고
    • Harvey doi: 10.1007/s00775-011-0786-7
    • Harvey (2011) J Biol Inorg Chem. doi: 10.1007/s00775-011-0786-7
    • (2011) J Biol Inorg Chem


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.