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Volumn 106, Issue 46, 2002, Pages 11347-11353

Exploring the mechanism for the synthesis of silsesquioxanes. 3. The effect of substituents and water

Author keywords

[No Author keywords available]

Indexed keywords

CONDENSATION; HYDROLYSIS; REACTION KINETICS; SUBSTITUTION REACTIONS; SYNTHESIS (CHEMICAL); WATER;

EID: 0037153324     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0214108     Document Type: Article
Times cited : (41)

References (40)
  • 10
    • 0011947231 scopus 로고    scopus 로고
    • Journal the Society of Silicon Chemistry Japan
    • (f) Itoh, M. Keiso Kagaku Kyoukaishi 2001, 15, 19 (Journal the Society of Silicon Chemistry Japan).
    • (2001) Keiso Kagaku Kyoukaishi , vol.15 , pp. 19
    • Itoh, M.1
  • 24
    • 0011946412 scopus 로고    scopus 로고
    • Diplomarbeit, Erlangen, 1982
    • (d) Spitznagel, G.W.; Diplomarbeit, Erlangen, 1982.
    • Spitznagel, G.W.1
  • 26
    • 0001239563 scopus 로고    scopus 로고
    • and references therein
    • (f) Okuno, Y.J.; Chem. Phys. 1996, 105, 5817 and references therein.
    • (1996) Chem. Phys. , vol.105 , pp. 5817
    • Okuno, Y.J.1
  • 37
    • 0001128874 scopus 로고    scopus 로고
    • In an attempt to locate lower energy arrangements of the EFP waters, Monte Carlo calculations with simulated annealing [Day, P.N.; Pachter, R.; Gordon, M.S.; Merrill, G.N. J. Chem. Phys. 2000, 112, 2063] have been performed using the HF/3-21G* method and a temperature range from 2000-100 K. No structures lower in energy than type I were found.
    • (2000) J. Chem. Phys. , vol.112 , pp. 2063
    • Day, P.N.1    Pachter, R.2    Gordon, M.S.3    Merrill, G.N.4
  • 38
    • 0011984082 scopus 로고    scopus 로고
    • note
    • The transition state was found to lie lower in energy than the reactants by 9.6 kcal/mol at the HF/6-31G* level.
  • 40
    • 0011975513 scopus 로고    scopus 로고
    • note
    • Note that the energy barrier for the first step decreases to 5.0 kcal/mol upon t-Bu substitution at the same level of theory.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.