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Volumn 119, Issue 2, 2003, Pages 1085-1092

Adsorption of methylchloride on Si(100) from first principles

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION CONFIGURATIONS;

EID: 0042767977     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1578993     Document Type: Article
Times cited : (28)

References (29)
  • 8
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    • R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985); we have used the code CPMD, versions 3.0, 3.3, and 3.5, developed by J. Hutter et al., at MPI für Festkörperforschung and IBM Research Laboratory (1990-2001).
    • (1985) Phys. Rev. Lett. , vol.55 , pp. 2471
    • Car, R.1    Parrinello, M.2
  • 9
    • 4243606192 scopus 로고    scopus 로고
    • note
    • R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985); we have used the code CPMD, versions 3.0, 3.3, and 3.5, developed by J. Hutter et al., at MPI für Festkörperforschung and IBM Research Laboratory (1990-2001).
  • 10
    • 4243553426 scopus 로고
    • A. D. Becke, Phys. Rev. A 38, 3098 (1988); C. Lee, W. Yang, and R. C. Parr, Phys. Rev. B 37, 785 (1988).
    • (1988) Phys. Rev. A , vol.38 , pp. 3098
    • Becke, A.D.1
  • 19
    • 1242329035 scopus 로고    scopus 로고
    • G. Henkelman, B. P. Uberuaga, and H. Jónsson, J. Chem. Phys. 113, 9901 (2000); G. Henkelman and H. Jónsson, ibid. 113, 9978 (2000).
    • (2000) J. Chem. Phys. , vol.113 , pp. 9978
    • Henkelman, G.1    Jónsson, H.2
  • 22
    • 0001652762 scopus 로고    scopus 로고
    • F. A. Hamprecht, A. J. Cohen, D. J. Tozer, and N. C. Handy, J. Chem. Phys. 109, 6264 (1998); A. D. Boese, N. L. Doltsinis, N. C. Handy, and M. Sprik, ibid. 112, 1670 (2000); A. D. Boese and N. C. Handy, ibid. 114, 5497 (2001).
    • (1998) J. Chem. Phys. , vol.109 , pp. 6264
    • Hamprecht, F.A.1    Cohen, A.J.2    Tozer, D.J.3    Handy, N.C.4
  • 23
    • 0346189340 scopus 로고    scopus 로고
    • F. A. Hamprecht, A. J. Cohen, D. J. Tozer, and N. C. Handy, J. Chem. Phys. 109, 6264 (1998); A. D. Boese, N. L. Doltsinis, N. C. Handy, and M. Sprik, ibid. 112, 1670 (2000); A. D. Boese and N. C. Handy, ibid. 114, 5497 (2001).
    • (2000) J. Chem. Phys. , vol.112 , pp. 1670
    • Boese, A.D.1    Doltsinis, N.L.2    Handy, N.C.3    Sprik, M.4
  • 24
    • 0035309319 scopus 로고    scopus 로고
    • F. A. Hamprecht, A. J. Cohen, D. J. Tozer, and N. C. Handy, J. Chem. Phys. 109, 6264 (1998); A. D. Boese, N. L. Doltsinis, N. C. Handy, and M. Sprik, ibid. 112, 1670 (2000); A. D. Boese and N. C. Handy, ibid. 114, 5497 (2001).
    • (2001) J. Chem. Phys. , vol.114 , pp. 5497
    • Boese, A.D.1    Handy, N.C.2
  • 28


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