메뉴 건너뛰기




Volumn 21, Issue 7-8, 2008, Pages 596-602

H2O2 activation by heteropolyacids with defect structures: The case of γ-[(XO4)W10O 32]n- (X = Si, Ge, n = 8; X = P, n = 7)

Author keywords

Catalytic epoxidation; Density functional calculations; Polyoxometalates; Proton transfer; Tungsten

Indexed keywords

DFT CALCULATIONS; POLYOXOTUNGSTATES; PROTONATED; SOLVENT EFFECTS;

EID: 46949091226     PISSN: 08943230     EISSN: 10991395     Source Type: Journal    
DOI: 10.1002/poc.1326     Document Type: Conference Paper
Times cited : (20)

References (39)
  • 19
    • 20644438873 scopus 로고    scopus 로고
    • G. te Velde, F. M. Bickelhaupt, E. J. Baerends, C. Fonseca Guerra, S. J. A. van Gisbergen, J. G. Snijders, T. Ziegler, J. Comput. Chem. 2001, 22, 931-967. See also: ADF 2006.01, ADF User's Guide, http://www.scm.com
    • G. te Velde, F. M. Bickelhaupt, E. J. Baerends, C. Fonseca Guerra, S. J. A. van Gisbergen, J. G. Snijders, T. Ziegler, J. Comput. Chem. 2001, 22, 931-967. See also: ADF 2006.01, ADF User's Guide, http://www.scm.com
  • 21
    • 46949107129 scopus 로고    scopus 로고
    • Eds, M. Kaupp, M. Bühl, V. G. Malkin, Wiley-VCH, Weinheim, Chapter 14
    • J. Autschbach, in Calculation of NMR and EPR Parameters, (Eds.: M. Kaupp, M. Bühl, V. G. Malkin). Wiley-VCH, Weinheim, 2004. Chapter 14.
    • (2004) Calculation of NMR and EPR Parameters
    • Autschbach, J.1
  • 23
    • 46949093911 scopus 로고    scopus 로고
    • Ph.D. Thesis, Vrije Universiteit, Amsterdam
    • E. van Lenthe, Ph.D. Thesis, Vrije Universiteit, Amsterdam, 1996.
    • (1996)
    • van Lenthe, E.1
  • 31
    • 33746824856 scopus 로고    scopus 로고
    • It is worth noting that the thermodynamics of solvation of hydrocarbons is profoundly different according to whether the solvent is water or practically any other liquid. See e.g, W. Blokzljl, J. B. F. N. Engberts, Angew. Chem. Int. Ed. Engl. 1993, 32, 1545-1579
    • It is worth noting that the thermodynamics of solvation of hydrocarbons is profoundly different according to whether the solvent is water or practically any other liquid. See e.g., W. Blokzljl, J. B. F. N. Engberts, Angew. Chem. Int. Ed. Engl. 1993, 32, 1545-1579.
  • 34
  • 37
    • 46949099877 scopus 로고    scopus 로고
    • 10- has been characterized by X-ray analysis and found to be reactive in the epoxidation of 2-cyclohexenol, see reference [18].
    • 10- has been characterized by X-ray analysis and found to be reactive in the epoxidation of 2-cyclohexenol, see reference [18].


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.