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Volumn 129, Issue 10, 2007, Pages 2989-2997

Electrostatic properties of adsorbed polar molecules: Opposite behavior of a single molecule and a molecular monolayer

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; BENZENE; DERIVATIVES; ELECTROSTATICS; MATHEMATICAL MODELS; MONOLAYERS;

EID: 33947288519     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja068417d     Document Type: Article
Times cited : (62)

References (64)
  • 28
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    • 22628
    • J. Phys. Chem. B 2006, 110, 22628.
    • (2006) , Issue.110
    • Phys, J.1    Chem, B.2
  • 48
    • 33947267090 scopus 로고    scopus 로고
    • Frisch, M. J., et al. Gaussian 03, revision C.01wis2 (WIS customized version 2); Gaussian, Inc.: Wallingford, CT, 2004.
    • Frisch, M. J., et al. Gaussian 03, revision C.01wis2 (WIS customized version 2); Gaussian, Inc.: Wallingford, CT, 2004.
  • 55
    • 33947249102 scopus 로고    scopus 로고
    • -2 Bohr, respectively.
    • -2 Bohr, respectively.
  • 60
    • 33947233353 scopus 로고    scopus 로고
    • Integration is performed over a limited lateral extent around the molecule for essentially the same reason as that in the discussion after eq 6: a null polarization would be obtained for an infinitely large surface. In a periodic representation this translates to a null polarization when integrating over the whole cell
    • Integration is performed over a limited lateral extent around the molecule for essentially the same reason as that in the discussion after eq 6: a null polarization would be obtained for an infinitely large surface. In a periodic representation this translates to a null polarization when integrating over the whole cell.
  • 61
    • 33947192555 scopus 로고    scopus 로고
    • Here, we discussed an ideally ordered monolayer on an ideally ordered substrate. Deviations from the perfectly ordered monolayer/substrate discussed here (as in, e.g, rough or stepped surfaces) may allow for some field penetration into the substrate. This will be discussed in detail elsewhere
    • Here, we discussed an ideally ordered monolayer on an ideally ordered substrate. Deviations from the perfectly ordered monolayer/substrate discussed here (as in, e.g., rough or stepped surfaces) may allow for some field penetration into the substrate. This will be discussed in detail elsewhere.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.