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Volumn 25, Issue 4, 2006, Pages 820-825

Hydride donor abilities of cationic transition metal hydrides from DFT-PCM calculations

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; HYDRIDES; NICKEL COMPOUNDS; PALLADIUM COMPOUNDS; PLATINUM COMPOUNDS; POSITIVE IONS; PROBABILITY DENSITY FUNCTION;

EID: 84962374892     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om050726+     Document Type: Article
Times cited : (34)

References (57)
  • 2
    • 0003605581 scopus 로고    scopus 로고
    • Peruzzini, M., Poli, R., Eds.; Elsevier: Amsterdam
    • Peruzzini, M., Poli, R., Eds. Recent Advances In Hydride Chemistry; Elsevier: Amsterdam, 2001.
    • (2001) Recent Advances in Hydride Chemistry
  • 3
    • 84962467832 scopus 로고
    • Dedieu A., Ed.; VCH: Weinheim
    • Dedieu A., Ed. Metal Hydrides; VCH: Weinheim, 1992.
    • (1992) Metal Hydrides
  • 9
    • 0542395456 scopus 로고
    • For selected thermodynamic studies see: (a) Angelici, R. J. Act. Chem. Res. 1995, 28, 51.
    • (1995) Act. Chem. Res. , vol.28 , pp. 51
    • Angelici, R.J.1
  • 54
    • 84962451903 scopus 로고    scopus 로고
    • note
    • -) = -387.8 kcal/mol, which 'seems fairly inaccurate as compared to the empirical value derived from the experimental data (-404.7 kcal/mol).
  • 56
    • 84962363440 scopus 로고    scopus 로고
    • note
    • s values were calculated with the PCM-UA0 method.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.