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Volumn 27, Issue 10, 2014, Pages 803-810

Computational study on intramolecular electron transfer in 1,3-dintrobenzene radical anion

Author keywords

Electron transfer; Mixed valence compound; Molecular dynamics simulation; Solvent effects

Indexed keywords

ACETONITRILE; ELECTRON TRANSITIONS; FREE RADICAL REACTIONS; MOLECULAR DYNAMICS; ONE DIMENSIONAL; REACTION KINETICS; SOLVENTS;

EID: 85027936376     PISSN: 08943230     EISSN: 10991395     Source Type: Journal    
DOI: 10.1002/poc.3339     Document Type: Article
Times cited : (5)

References (68)
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  • 52
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    • AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules
    • D. A. Pearlman, D. A. Case, J. W. Caldwell, W. S. Ross, T. E. Cheatham, III, S. DeBolt, D. Ferguson, G. Seibel, P. Kollman, AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules, Comput. Phys. Commun. 1995, 91, 1.
    • (1995) Comput. Phys. Commun. , vol.91 , pp. 1
    • Pearlman, D.A.1    Case, D.A.2    Caldwell, J.W.3    Ross, W.S.4    Cheatham, T.E.5    DeBolt, S.6    Ferguson, D.7    Seibel, G.8    Kollman, P.9


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.