메뉴 건너뛰기




Volumn 25, Issue 1, 2012, Pages 58-68

Reduction potentials of para-substituted nitrobenzenes-an infrared, nuclear magnetic resonance, and density functional theory study

Author keywords

cyclic voltammetry; DFT; electronegativity; nitrobenzene; reduction potential

Indexed keywords

DEGREE OF ACCURACY; DESCRIPTORS; DFT; ELECTROPHILICITY INDEX; EXPERIMENTAL PARAMETERS; GROUP ELECTRONEGATIVITY; LINEAR RELATIONSHIPS; LOWEST UNOCCUPIED MOLECULAR ORBITAL; REDUCTION POTENTIAL; STRETCHING FREQUENCY;

EID: 84655162109     PISSN: 08943230     EISSN: 10991395     Source Type: Journal    
DOI: 10.1002/poc.1868     Document Type: Article
Times cited : (86)

References (66)
  • 28
    • 4243553426 scopus 로고
    • (a)
    • (a), A. D. Becke, Phys. Rev. A 1988, 38, 3098-3100
    • (1988) Phys. Rev. A , vol.38 , pp. 3098-3100
    • Becke, A.D.1
  • 30
    • 20644438873 scopus 로고    scopus 로고
    • The ADF program system was obtained from Scientific Computing and Modeling, Amsterdam. For a description of the methods used in ADF, see
    • The ADF program system was obtained from Scientific Computing and Modeling, Amsterdam (). For a description of the methods used in ADF, see:, G. T. Velde, F. M. Bickelhaupt, E. J. Baerends, C. F. Guerra, S. J. A. van Gisbergen, J. G. Snijders, T. J. Ziegler, J. Comput. Chem. 2001, 22, 931-967.
    • (2001) J. Comput. Chem. , vol.22 , pp. 931-967
    • Velde, G.T.1    Bickelhaupt, F.M.2    Baerends, E.J.3    Guerra, C.F.4    Van Gisbergen, S.J.A.5    Snijders, J.G.6    Ziegler, T.J.7
  • 33
    • 33751157086 scopus 로고
    • (b)
    • (b), A. Klamt, J. Phys. Chem. 1995, 99, 2224-2235.
    • (1995) J. Phys. Chem. , vol.99 , pp. 2224-2235
    • Klamt, A.1
  • 61
    • 49149122068 scopus 로고    scopus 로고
    • D. H. Evans, Chem. Rev. 2008, 108, 2113-2144.
    • (2008) Chem. Rev. , vol.108 , pp. 2113-2144
    • Evans, D.H.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.