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Volumn 1, Issue 4, 1999, Pages 545-553

Periodic B3-LYP calculations on H-Edingtonites, both alone and interacting with acetylene

Author keywords

[No Author keywords available]

Indexed keywords

ACETYLENE; EDINGTONITE DERIVATIVE; UNCLASSIFIED DRUG; ZEOLITE;

EID: 0033558207     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/a807534d     Document Type: Article
Times cited : (27)

References (47)
  • 15
    • 0000798784 scopus 로고
    • Hartree-Fock Ab Initio Treatment of Crystalline Solids
    • Springer, Berlin
    • 15 C. Pisani, R. Dovesi and C. Roetti, Hartree-Fock Ab Initio Treatment of Crystalline Solids, Lecture Notes in Chemistry, vol. 48, Springer, Berlin, 1988.
    • (1988) Lecture Notes in Chemistry , vol.48
    • Pisani, C.1    Dovesi, R.2    Roetti, C.3
  • 16
    • 0003599949 scopus 로고    scopus 로고
    • Università di Torino, Torino, The Becke3-LYP calculations have been made possible by a new addition to the CRYSTAL-95 code by V. R. Saunders, which has been made available to the present authors
    • 16 R. Dovesi, V. R. Saunders, C. Roetti, M. Causà, N. M. Harrison, R. Orlando and E. Aprà, CRYSTAL-95 User's Manual, Università di Torino, Torino, 1996. The Becke3-LYP calculations have been made possible by a new addition to the CRYSTAL-95 code by V. R. Saunders, which has been made available to the present authors.
    • (1996) CRYSTAL-95 User's Manual
    • Dovesi, R.1    Saunders, V.R.2    Roetti, C.3    Causà, M.4    Harrison, N.M.5    Orlando, R.6    Aprà, E.7
  • 17
    • 0013568064 scopus 로고    scopus 로고
    • Doctorate Thesis, University of Torino, Torino
    • 17 B. Civalleri, Doctorate Thesis, University of Torino, Torino, 1998.
    • (1998)
    • Civalleri, B.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.