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Volumn 97, Issue 1, 1992, Pages 335-340

Ab initio second- and fourth-order Møller-Plesset study on structure, stabilization energy, and stretching vibration of benzene⋯X (X=He,Ne,Ar,Kr,Xe) van der Waals molecules

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Indexed keywords


EID: 0000001132     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.463578     Document Type: Article
Times cited : (108)

References (32)
  • 20
    • 84954071797 scopus 로고    scopus 로고
    • The complex has 149 basis functions and the calculation required 2.2 GByte of the scratch disk. The total CPU time (GAUSSIAN 90) at CRAYYMP was 20 434 s; the dominant part (17 417s) was taken for the calculation of T terms. Surprisingly, the total CPU time for determination of the basis-set superposition error was considerably larger, 34 966 s (ghost functions of He). Again, the dominant part was consumed for evaluation of T terms (31 720 s)
  • 28
    • 84954053661 scopus 로고    scopus 로고
    • Th. Weber, Doctoral dissertation, Technische Universität München, Institut für Physikalische und Theoretische Chemie, 1991


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.