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Volumn 157, Issue , 2005, Pages 243-262

Applications of quantum chemical methods in zeolite science

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Indexed keywords


EID: 24344462182     PISSN: 01672991     EISSN: None     Source Type: Book Series    
DOI: 10.1016/s0167-2991(05)80014-x     Document Type: Conference Paper
Times cited : (8)

References (64)
  • 20
    • 85030745839 scopus 로고    scopus 로고
    • note
    • Four-center intergrals can be calculated also for planewave basis sets, however, number of planewaves in the basis set is typically too large for calculations of all four-centere integrals.
  • 47
    • 0000695957 scopus 로고
    • Reliability of CCSD(T) has been demonstrated for many systems. Probably the most relevant comparison with experiment can be seen from calculations on Cu+(CO)n comlexes for which the experimental dissociation energy is known (F. Meyer; Y. M. Chen; P. B. Armentrout, J. Am. Chem. Soc., 117, (1995), 4071).
    • (1995) J. Am. Chem. Soc. , vol.117 , pp. 4071
    • Meyer, F.1    Chen, Y.M.2    Armentrout, P.B.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.