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Volumn 113, Issue 46, 2009, Pages 19897-19904

Ab initio calculation of the dispersion interaction between a polyaromatic molecule and a noble metal substrate: PTCDA on Ag(110)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; AVERAGE HEIGHT; BENT GEOMETRY; C ATOMS; CARBOXYLIC OXYGEN; DISPERSION INTERACTION; METAL CLUSTER; NOBLE METALS; OXYGEN ATOM; PLESSET PERTURBATION THEORY; POLYAROMATIC MOLECULES; RIGID SUBSTRATES; SECOND ORDERS; SILVER CRYSTALS; SUBSTRATE LAYERS; X-RAY STANDING WAVE TECHNIQUES; X-RAY STANDING WAVES;

EID: 72149105330     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp902370b     Document Type: Article
Times cited : (27)

References (59)
  • 15
    • 72149093609 scopus 로고    scopus 로고
    • The adsorption of PTCDA on coin metal surfaces: A correlation between the adsorption height and the chemisorptive nature of the adsorbate-substrate bonding
    • Berlin, Germany, Poster O.18.31
    • Bauer, O.; Hauschild, A.; Soubatch, S.; Henze, S. K. M.; Temirov, R.; Lassise, A.; Tautz, F. S.; Sokolowski, M. The adsorption of PTCDA on coin metal surfaces: a correlation between the adsorption height and the chemisorptive nature of the adsorbate-substrate bonding. DPG (VI)43/1, Berlin, Germany; 2008; Poster O.18.31.
    • (2008) DPG (VI) , vol.43 , Issue.1
    • Bauer, O.1    Hauschild, A.2    Soubatch, S.3    Henze, S.K.M.4    Temirov, R.5    Lassise, A.6    Tautz, F.S.7    Sokolowski, M.8
  • 42
    • 72149097969 scopus 로고    scopus 로고
    • 35,36 in TURBOMOLE 5.7, a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, TURBOMOLE GmbH, since 2007, available from
    • 35, 36 in TURBOMOLE 5.7, a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, TURBOMOLE GmbH, since 2007; available from http://www.turbomole.com.
  • 54
    • 72149122205 scopus 로고    scopus 로고
    • The RI-MP2 optimization of PTCDA on Ag32 takes 60 days of CPU time on an AMD Opteron processor with 2.0 GHz and 8 GB of RAM
    • The RI-MP2 optimization of PTCDA on Ag32 takes 60 days of CPU time on an AMD Opteron processor with 2.0 GHz and 8 GB of RAM.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.