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Volumn 102, Issue 26, 1998, Pages 5111-5116

Density functional theory and biomolecules: A study of glycine, alanine, and their oligopeptides

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000337925     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp980975u     Document Type: Article
Times cited : (116)

References (38)
  • 13
    • 0000983566 scopus 로고    scopus 로고
    • Sirois, S.; Proynov, E. I.; Nguyen, D. T.; Salahub, D. R. J. Chem. Phys. 1997, 107, 6770. Nguyen, D. T.; Scheiner, A. C.; Andzelm, J. W.; Sirois, S.; Salahub, D. R.; Hagler, A. T. J. Comput. Chem. 1997, 18, 1609.
    • (1997) J. Chem. Phys. , vol.107 , pp. 6770
    • Sirois, S.1    Proynov, E.I.2    Nguyen, D.T.3    Salahub, D.R.4
  • 17
    • 5944261746 scopus 로고
    • Perdew, J. P. Phys. Rev. B 1986, 33, 8822; Phys. Reu. B 1986, 34, 7406.
    • (1986) Phys. Rev. B , vol.33 , pp. 8822
    • Perdew, J.P.1
  • 18
    • 5944261746 scopus 로고
    • Perdew, J. P. Phys. Rev. B 1986, 33, 8822; Phys. Reu. B 1986, 34, 7406.
    • (1986) Phys. Reu. B , vol.34 , pp. 7406
  • 22
    • 84947362301 scopus 로고
    • Remler, D. K.; Madden, P. A. Mol. Phys. 1990, 70, 921; Oguchi, T.; Sasaki, T. Prog. Theor. Phys. Suppl. 1991, 103, 93. Payne, M. C.; Teter, M. P.; Allan, D. C.; Arias, T. A.; Joannopoulos, J. D. Rev. Mod. Phys. 1992, 64, 1045. Galli, G.; Parrinello, M. In Computer Simulation in Materials Science; Meyer, M., Pontikis, V., Eds.; Plenum: New York, 1991; p 283. Hohl, D. Theor. Chim. Acta 1995, 91, 237.
    • (1990) Mol. Phys. , vol.70 , pp. 921
    • Remler, D.K.1    Madden, P.A.2
  • 23
    • 0542417761 scopus 로고
    • Remler, D. K.; Madden, P. A. Mol. Phys. 1990, 70, 921; Oguchi, T.; Sasaki, T. Prog. Theor. Phys. Suppl. 1991, 103, 93. Payne, M. C.; Teter, M. P.; Allan, D. C.; Arias, T. A.; Joannopoulos, J. D. Rev. Mod. Phys. 1992, 64, 1045. Galli, G.; Parrinello, M. In Computer Simulation in Materials Science; Meyer, M., Pontikis, V., Eds.; Plenum: New York, 1991; p 283. Hohl, D. Theor. Chim. Acta 1995, 91, 237.
    • (1991) Prog. Theor. Phys. Suppl. , vol.103 , pp. 93
    • Oguchi, T.1    Sasaki, T.2
  • 24
    • 11944256577 scopus 로고
    • Remler, D. K.; Madden, P. A. Mol. Phys. 1990, 70, 921; Oguchi, T.; Sasaki, T. Prog. Theor. Phys. Suppl. 1991, 103, 93. Payne, M. C.; Teter, M. P.; Allan, D. C.; Arias, T. A.; Joannopoulos, J. D. Rev. Mod. Phys. 1992, 64, 1045. Galli, G.; Parrinello, M. In Computer Simulation in Materials Science; Meyer, M., Pontikis, V., Eds.; Plenum: New York, 1991; p 283. Hohl, D. Theor. Chim. Acta 1995, 91, 237.
    • (1992) Rev. Mod. Phys. , vol.64 , pp. 1045
    • Teter, M.P.1    Allan, D.C.2    Arias, T.A.3    Joannopoulos, J.D.4
  • 25
    • 0001418525 scopus 로고
    • Meyer, M., Pontikis, V., Eds.; Plenum: New York
    • Remler, D. K.; Madden, P. A. Mol. Phys. 1990, 70, 921; Oguchi, T.; Sasaki, T. Prog. Theor. Phys. Suppl. 1991, 103, 93. Payne, M. C.; Teter, M. P.; Allan, D. C.; Arias, T. A.; Joannopoulos, J. D. Rev. Mod. Phys. 1992, 64, 1045. Galli, G.; Parrinello, M. In Computer Simulation in Materials Science; Meyer, M., Pontikis, V., Eds.; Plenum: New York, 1991; p 283. Hohl, D. Theor. Chim. Acta 1995, 91, 237.
    • (1991) Computer Simulation in Materials Science , pp. 283
    • Galli, G.1    Parrinello, M.2
  • 26
    • 0542370319 scopus 로고
    • Remler, D. K.; Madden, P. A. Mol. Phys. 1990, 70, 921; Oguchi, T.; Sasaki, T. Prog. Theor. Phys. Suppl. 1991, 103, 93. Payne, M. C.; Teter, M. P.; Allan, D. C.; Arias, T. A.; Joannopoulos, J. D. Rev. Mod. Phys. 1992, 64, 1045. Galli, G.; Parrinello, M. In Computer Simulation in Materials Science; Meyer, M., Pontikis, V., Eds.; Plenum: New York, 1991; p 283. Hohl, D. Theor. Chim. Acta 1995, 91, 237.
    • (1995) Theor. Chim. Acta , vol.91 , pp. 237
    • Hohl, D.1
  • 31
    • 0001040318 scopus 로고    scopus 로고
    • concerning BP and PBE
    • Hamann, D. R. Phys. Rev. B 1997, 55, R10157 (concerning BP and PBE). Parrinello, M. Solid State Commun. 1997, 102, 107 and references therein (concerning BP and BLYP).
    • (1997) Phys. Rev. B , vol.55
    • Hamann, D.R.1
  • 32
    • 0031123703 scopus 로고    scopus 로고
    • and references therein (concerning BP and BLYP)
    • Hamann, D. R. Phys. Rev. B 1997, 55, R10157 (concerning BP and PBE). Parrinello, M. Solid State Commun. 1997, 102, 107 and references therein (concerning BP and BLYP).
    • (1997) Solid State Commun. , vol.102 , pp. 107
    • Parrinello, M.1
  • 38
    • 5244228724 scopus 로고
    • Head-Gordon, T.; Head-Gordon, M.; Frisch, M. J.; Brooks, C. L., III; Pople, J. A. Int. J. Quantum Chem.: Quantum BM. Symp. 1989, 16, 311; J. Am. Chem. Soc. 1991, 113, 5989.
    • (1991) J. Am. Chem. Soc. , vol.113 , pp. 5989


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