메뉴 건너뛰기




Volumn 20, Issue 3, 2008, Pages

Electrostatic versus polarization effects in the adsorption of aromatic molecules of varied polarity on an insulating hydrophobic surface

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; BIOCHEMISTRY; COVALENT BONDS; ELECTROSTATICS; HYDROPHOBICITY; POLARIZATION;

EID: 43049100779     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/20/03/035215     Document Type: Article
Times cited : (18)

References (12)
  • 1
    • 0024764227 scopus 로고
    • Polychlorinated dibenzo-para-dioxins and dibenzofurans in the ambient atmosphere of Bloomington, Indiana
    • Eitzer B D and Hites R A 1989 Polychlorinated dibenzo-para-dioxins and dibenzofurans in the ambient atmosphere of Bloomington, Indiana Environ. Sci. Technol. 23 1389-95
    • (1989) Environ. Sci. Technol. , vol.23 , Issue.11 , pp. 1389-1395
    • Eitzer, B.D.1    Hites, R.A.2
  • 2
    • 0001585936 scopus 로고
    • Study of selectivity of natural sorbents with respect to hydrocarbons
    • Zhukova A I, Bondarenko S V and Tarasevich Y I 1976 Study of selectivity of natural sorbents with respect to hydrocarbons Ukr. Khim. Zh. 42 708-11
    • (1976) Ukr. Khim. Zh. , vol.42 , pp. 708-711
    • Zhukova, A.I.1    Bondarenko, S.V.2    Tarasevich, Y.I.3
  • 4
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • Perdew J P, Burke K and Ernzerhof M 1996 Generalized gradient approximation made simple Phys. Rev. Lett. 77 3865-8
    • (1996) Phys. Rev. Lett. , vol.77 , Issue.18 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 5
    • 77249127120 scopus 로고    scopus 로고
    • Benchmark databases for nonbonded interactions and their use to test density functional theory
    • Zhao Y and Truhlar D G 2005 Benchmark databases for nonbonded interactions and their use to test density functional theory J. Chem. Theor. Comput. 1 415-432
    • (2005) J. Chem. Theor. Comput. , vol.1 , Issue.3 , pp. 415-432
    • Zhao, Y.1    Truhlar, D.G.2
  • 7
    • 0037113457 scopus 로고    scopus 로고
    • Systematic generation of finite-range atomic basis sets for linear-scaling calculations
    • Anglada E, Soler J M, Junquera J and Artacho E 2002 Systematic generation of finite-range atomic basis sets for linear-scaling calculations Phys. Rev. B 66 205101
    • (2002) Phys. Rev. , vol.66 , Issue.20 , pp. 205101
    • Anglada, E.1    Soler, J.M.2    Junquera, J.3    Artacho, E.4
  • 9
    • 0035894201 scopus 로고    scopus 로고
    • Numerical atomic orbitals for linear-scaling calculations
    • Junquera J, Paz O, Sanchez-Portal D and Artacho E 2001 Numerical atomic orbitals for linear-scaling calculations Phys. Rev. B 64 235111
    • (2001) Phys. Rev. , vol.64 , Issue.23 , pp. 235111
    • Junquera, J.1    Paz, O.2    Sanchez-Portal, D.3    Artacho, E.4
  • 10
    • 28344450125 scopus 로고    scopus 로고
    • Determination of the structure of gamma-alumina from interatomic potential and first-principles calculations: The requirement of significant numbers of nonspinel positions to achieve an accurate structural model
    • Paglia G, Rohl A L, Buckley C E and Gale J D 2005 Determination of the structure of gamma-alumina from interatomic potential and first-principles calculations: the requirement of significant numbers of nonspinel positions to achieve an accurate structural model Phys. Rev. B 71 224115
    • (2005) Phys. Rev. , vol.71 , Issue.22 , pp. 224115
    • Paglia, G.1    Rohl, A.L.2    Buckley, C.E.3    Gale, J.D.4
  • 12
    • 0346341238 scopus 로고    scopus 로고
    • Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis
    • Fonseca Guerra C, Handgraaf J-W, Baerends E J and Bickelhaupt F M 2004 Voronoi deformation density (VDD) charges: assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis J. Comput. Chem. 25 189-210
    • (2004) J. Comput. Chem. , vol.25 , Issue.2 , pp. 189-210
    • Fonseca Guerra, C.1    Handgraaf, J.-W.2    Baerends, E.J.3    Bickelhaupt, F.M.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.