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Volumn 65, Issue 4, 2011, Pages 240-244

A density dependent dispersion correction

Author keywords

Density functional theory; Dispersion correction; Molecular interactions

Indexed keywords


EID: 79955756660     PISSN: 00094293     EISSN: None     Source Type: Journal    
DOI: 10.2533/chimia.2011.240     Document Type: Conference Paper
Times cited : (39)

References (83)
  • 10
    • 79955765787 scopus 로고    scopus 로고
    • Isodesmic bond separation equations are defned by splitting all heavy-atom bonds into their parent molecular fragments preserving the heavy atom bond type. Inclusion of simple hydrides balances the hydrogen-heavy atom bonds e.g. methane for C-H bonds
    • Isodesmic bond separation equations are defned by splitting all heavy-atom bonds into their parent molecular fragments preserving the heavy atom bond type. Inclusion of simple hydrides balances the hydrogen-heavy atom bonds (e.g. methane for C-H bonds).
  • 70
    • 79955785969 scopus 로고    scopus 로고
    • CADPAC, The Cambridge Analytic Derivatives Package
    • CADPAC, The Cambridge Analytic Derivatives Package.
  • 71
    • 79955776302 scopus 로고    scopus 로고
    • functions were omitted in CADPAC computations of the anthracene dimerization reaction and the folding of C22H46 for technical reasons
    • functions were omitted in CADPAC computations of the anthracene dimerization reaction and the folding of C22H46 for technical reasons.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.