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Volumn 112, Issue 4, 2008, Pages 1053-1056

Spin states at a tipping point: What determines the dz 21ground state of nickel(III) tetra(tbutyl)porphyrin dicyanide?

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; GROUND STATE; PORPHYRINS; SPIN DYNAMICS;

EID: 39149088623     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp709980y     Document Type: Article
Times cited : (19)

References (43)
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    • 84940935551 scopus 로고    scopus 로고
    • Kadish, K. M., Smith, K. M., Guilard, R., Eds.; Academic (Elsevier): San Diego, CA, Chapter 67
    • (b) Ragsdale, S. W. In The Porphyrin Handbook; Kadish, K. M., Smith, K. M., Guilard, R., Eds.; Academic (Elsevier): San Diego, CA, 2003; Vol. 11, Chapter 67, pp 205-228.
    • (2003) The Porphyrin Handbook , vol.11 , pp. 205-228
    • Ragsdale, S.W.1
  • 10
    • 0034794787 scopus 로고    scopus 로고
    • (a) For reviews on quantum chemical studies of transition metal porphyrins, see: (a) Ghosh, A.; Steene, E. J. Biol. Inorg. Chem. 2001, 6, 739-752.
    • (2001) J. Biol. Inorg. Chem. , vol.6 , pp. 739-752
    • Ghosh, A.1    Steene, E.2
  • 11
    • 0002828451 scopus 로고    scopus 로고
    • Kadish, K. M., Smith, K. M., Guilard, R., Eds.; Academic (Elsevier): San Diego, CA, Chapter 47
    • (b) Ghosh, A. In The Porphyrin Handbook; Kadish, K. M., Smith, K. M., Guilard, R., Eds.; Academic (Elsevier): San Diego, CA, 2000; Vol. 7, Chapter 47, pp 1-38.
    • (2000) The Porphyrin Handbook , vol.7 , pp. 1-38
    • Ghosh, A.1
  • 24
    • 0037305747 scopus 로고    scopus 로고
    • (a) Reviews on DFT calculations on transition metal spin-state energetics: (a) Ghosh, A.; Taylor, P. R. Curr. Opin. Chem. Biol. 2003, 91, 113-124.
    • (2003) Curr. Opin. Chem. Biol. , vol.91 , pp. 113-124
    • Ghosh, A.1    Taylor, P.R.2
  • 26
    • 3142682341 scopus 로고    scopus 로고
    • (a) Selected studies comparing the performance of different functionals vis-a'-vis transition metal spin-state energetics: (a) Swart, M.; Groenhof, A. R.; Ehlers, A. W.; Lammertsma, K. J. Phys. Chem. A 2004, 108, 5479-5483.
    • (2004) J. Phys. Chem. A , vol.108 , pp. 5479-5483
    • Swart, M.1    Groenhof, A.R.2    Ehlers, A.W.3    Lammertsma, K.4
  • 38
    • 36248940205 scopus 로고    scopus 로고
    • For a DFT study on a spin-crossover Fe complex, see: Conradie, J.; Ghosh, A. J. Phys. Chem. B, 2007, 111, 12621-12624.
    • (2007) J. Phys. Chem. B , vol.111 , pp. 12621-12624
    • Conradie, J.1    Ghosh, A.2
  • 39
    • 84924857629 scopus 로고    scopus 로고
    • McLeverty, J., Meyer, T. J., Eds.; Elsevier: Amsterdam, Chapter 6.3
    • Review of Ni(III) and Ni(IV) complexes: Meyer, F.; Koslowski, H. In ComprehensiVe Coordination Chemistry II; McLeverty, J., Meyer, T. J., Eds.; Elsevier: Amsterdam, 2004; Vol. 6, Chapter 6.3, pp 252-275.
    • (2004) ComprehensiVe Coordination Chemistry II , vol.6 , pp. 252-275
    • Meyer, F.1    Koslowski, H.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.