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Volumn 24, Issue 42, 2012, Pages

Physisorption of nucleobases on graphene: A comparative van der Waals study

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORIES (DFT); DENSITY FUNCTIONALS; GENERALIZED GRADIENT APPROXIMATIONS; GUANINE; NUCLEOBASES; VAN DER WAALS; VAN DER WAALS INTERACTION; VAN DER WAALS INTERACTIONS;

EID: 84867240286     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/24/42/424210     Document Type: Article
Times cited : (119)

References (43)
  • 4
  • 5
    • 18144378706 scopus 로고
    • 10.1103/PhysRevB.33.8800 0163-1829 B
    • Perdew J P and Yue W 1986 Phys. Rev. B 33 8800
    • (1986) Phys. Rev. , vol.33 , Issue.12 , pp. 8800
    • Perdew, J.P.1    Yue, W.2
  • 6
    • 4043164887 scopus 로고    scopus 로고
    • 10.1002/jcc.20078 0192-8651
    • Grimme S 2004 J. Comput. Chem. 25 1463
    • (2004) J. Comput. Chem. , vol.25 , Issue.12 , pp. 1463
    • Grimme, S.1
  • 7
    • 33750559983 scopus 로고    scopus 로고
    • Semiempirical GGA-type density functional constructed with a long-range dispersion correction
    • DOI 10.1002/jcc.20495
    • Grimme S 2006 J. Comput. Chem. 27 1787 (Pubitemid 44672561)
    • (2006) Journal of Computational Chemistry , vol.27 , Issue.15 , pp. 1787-1799
    • Grimme, S.1
  • 10
    • 0037039459 scopus 로고    scopus 로고
    • Empirical correction to density functional theory for van der Waals interactions
    • DOI 10.1063/1.1424928
    • Wu Q and Yang W 2002 J. Chem. Phys. 116 515 (Pubitemid 34064586)
    • (2002) Journal of Chemical Physics , vol.116 , Issue.2 , pp. 515-524
    • Wu, Q.1    Yang, W.2
  • 11
    • 20844452831 scopus 로고    scopus 로고
    • Exchange-hole dipole moment and the dispersion interaction
    • DOI 10.1063/1.1884601, 154104
    • Becke A D and Johnson E R 2005 J. Chem. Phys. 122 154104 (Pubitemid 40858251)
    • (2005) Journal of Chemical Physics , vol.122 , Issue.15 , pp. 1-5
    • Becke, A.D.1    Johnson, E.R.2
  • 12
    • 28344439628 scopus 로고    scopus 로고
    • A density-functional model of the dispersion interaction
    • DOI 10.1063/1.2065267, 154101
    • Becke A D and Johnson E R 2005 J. Chem. Phys. 123 154101 (Pubitemid 41716911)
    • (2005) Journal of Chemical Physics , vol.123 , Issue.15 , pp. 1-9
    • Becke, A.D.1    Johnson, E.R.2
  • 13
    • 23444462078 scopus 로고    scopus 로고
    • A post-Hartree-Fock model of intermolecular interactions
    • DOI 10.1063/1.1949201, 024101
    • Johnson E R and Becke A D 2005 J. Chem. Phys. 123 024101 (Pubitemid 41107698)
    • (2005) Journal of Chemical Physics , vol.123 , Issue.2 , pp. 1-7
    • Johnson, E.R.1    Becke, A.D.2
  • 14
  • 15
    • 38949121770 scopus 로고    scopus 로고
    • Van der Waals interactions in DFT made easy by wannier dunctions
    • DOI 10.1103/PhysRevLett.100.053002
    • Silvestrelli P L 2008 Phys. Rev. Lett. 100 053002 (Pubitemid 351230706)
    • (2008) Physical Review Letters , vol.100 , Issue.5 , pp. 053002
    • Silvestrelli, P.L.1
  • 26
    • 29344453805 scopus 로고    scopus 로고
    • Electrically triggered insertion of single-stranded DNA into single-walled carbon nanotubes
    • DOI 10.1016/j.cplett.2005.10.030, PII S0009261405015605
    • Okada T, Kaneko T, Hatakeyama R and Tohji K 2006 Chem. Phys. Lett. 417 288 (Pubitemid 43006090)
    • (2006) Chemical Physics Letters , vol.417 , Issue.4-6 , pp. 288-292
    • Okada, T.1    Kaneko, T.2    Hatakeyama, R.3    Tohji, K.4
  • 27
    • 33751158022 scopus 로고
    • 10.1021/j100056a016 0022-3654
    • Tao N J and Shi Z 1994 J. Phys. Chem. 98 1464
    • (1994) J. Phys. Chem. , vol.98 , Issue.5 , pp. 1464
    • Tao, N.J.1    Shi, Z.2
  • 29
    • 28844484782 scopus 로고    scopus 로고
    • Attracted by long-range electron correlation: Adenine on graphite
    • DOI 10.1103/PhysRevLett.95.186101, 186101
    • Ortmann F, Schmidt W G and Bechstedt F 2005 Phys. Rev. Lett. 95 186101 (Pubitemid 41777296)
    • (2005) Physical Review Letters , vol.95 , Issue.18 , pp. 1-4
    • Ortmann, F.1    Schmidt, W.G.2    Bechstedt, F.3
  • 33
    • 12844286241 scopus 로고
    • 10.1103/PhysRevB.47.558 0163-1829 B
    • Kresse G and Hafner J 1993 Phys. Rev. B 47 558
    • (1993) Phys. Rev. , vol.47 , Issue.1 , pp. 558
    • Kresse, G.1    Hafner, J.2
  • 35
    • 84867276458 scopus 로고    scopus 로고
    • http://cms.mpi.univie.ac.at/marsweb/
  • 36
    • 25744460922 scopus 로고
    • 10.1103/PhysRevB.50.17953 0163-1829 B
    • Blöchl P E 1994 Phys. Rev. B 50 17953
    • (1994) Phys. Rev. , vol.50 , Issue.24 , pp. 17953
    • Blöchl, P.E.1
  • 37
    • 0011236321 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.59.1758 1098-0121 B
    • Kresse G and Joubert D 1999 Phys. Rev. B 59 1758
    • (1999) Phys. Rev. , vol.59 , Issue.3 , pp. 1758
    • Kresse, G.1    Joubert, D.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.