Filtros : "Journal of Molecular Structure-Theochem" Limpar

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  • Source: Journal of Molecular Structure-Theochem. Unidade: IF

    Subjects: ESTRUTURA ELETRÔNICA, QUÍMICA QUÂNTICA

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    • ABNT

      CHAUDHURI, Puspitapallab e CANUTO, Sylvio Roberto Accioly. Conformational behavior of different possible ways of oligoglycine formation in a solvent-free environment. Journal of Molecular Structure-Theochem, v. 849, n. 1-3, p. 25-32, 2008Tradução . . Disponível em: https://doi.org/10.1016/j.theochem.2007.10.013. Acesso em: 08 nov. 2025.
    • APA

      Chaudhuri, P., & Canuto, S. R. A. (2008). Conformational behavior of different possible ways of oligoglycine formation in a solvent-free environment. Journal of Molecular Structure-Theochem, 849( 1-3), 25-32. doi:10.1016/j.theochem.2007.10.013
    • NLM

      Chaudhuri P, Canuto SRA. Conformational behavior of different possible ways of oligoglycine formation in a solvent-free environment [Internet]. Journal of Molecular Structure-Theochem. 2008 ; 849( 1-3): 25-32.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1016/j.theochem.2007.10.013
    • Vancouver

      Chaudhuri P, Canuto SRA. Conformational behavior of different possible ways of oligoglycine formation in a solvent-free environment [Internet]. Journal of Molecular Structure-Theochem. 2008 ; 849( 1-3): 25-32.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1016/j.theochem.2007.10.013
  • Source: Journal of Molecular Structure-Theochem. Unidade: IF

    Assunto: MÉTODO DE MONTE CARLO

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    • ABNT

      COUTINHO, Kaline Rabelo e CANUTO, Sylvio Roberto Accioly. The sequential Monte Carlo-quantum mechanics methodology. Application to the solvent effects in the Stokes shift of acetone in water. Journal of Molecular Structure-Theochem, v. 632, n. 1-3, p. 235-246, 2003Tradução . . Disponível em: https://doi.org/10.1016/s0166-1280(03)00302-6. Acesso em: 08 nov. 2025.
    • APA

      Coutinho, K. R., & Canuto, S. R. A. (2003). The sequential Monte Carlo-quantum mechanics methodology. Application to the solvent effects in the Stokes shift of acetone in water. Journal of Molecular Structure-Theochem, 632( 1-3), 235-246. doi:10.1016/s0166-1280(03)00302-6
    • NLM

      Coutinho KR, Canuto SRA. The sequential Monte Carlo-quantum mechanics methodology. Application to the solvent effects in the Stokes shift of acetone in water [Internet]. Journal of Molecular Structure-Theochem. 2003 ; 632( 1-3): 235-246.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1016/s0166-1280(03)00302-6
    • Vancouver

      Coutinho KR, Canuto SRA. The sequential Monte Carlo-quantum mechanics methodology. Application to the solvent effects in the Stokes shift of acetone in water [Internet]. Journal of Molecular Structure-Theochem. 2003 ; 632( 1-3): 235-246.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1016/s0166-1280(03)00302-6
  • Source: Journal of Molecular Structure-Theochem. Unidade: IF

    Subjects: BIOFÍSICA, ESTRUTURA MOLECULAR (FÍSICA MODERNA)

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    • ABNT

      CHAUDHURI, Puspitapallab e CANUTO, Sylvio Roberto Accioly. an ab initio study of the peptide bond formation between alanine and glycine: electron correlation effects on the structure and binding energy. Journal of Molecular Structure-Theochem, v. 577, n. 2-3, p. 267-279, 2002Tradução . . Disponível em: https://doi.org/10.1016/s0166-1280(01)00673-x. Acesso em: 08 nov. 2025.
    • APA

      Chaudhuri, P., & Canuto, S. R. A. (2002). an ab initio study of the peptide bond formation between alanine and glycine: electron correlation effects on the structure and binding energy. Journal of Molecular Structure-Theochem, 577( 2-3), 267-279. doi:10.1016/s0166-1280(01)00673-x
    • NLM

      Chaudhuri P, Canuto SRA. an ab initio study of the peptide bond formation between alanine and glycine: electron correlation effects on the structure and binding energy [Internet]. Journal of Molecular Structure-Theochem. 2002 ; 577( 2-3): 267-279.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1016/s0166-1280(01)00673-x
    • Vancouver

      Chaudhuri P, Canuto SRA. an ab initio study of the peptide bond formation between alanine and glycine: electron correlation effects on the structure and binding energy [Internet]. Journal of Molecular Structure-Theochem. 2002 ; 577( 2-3): 267-279.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1016/s0166-1280(01)00673-x
  • Source: Journal of Molecular Structure-Theochem. Unidade: IQ

    Subjects: ESPECTROSCOPIA INFRAVERMELHA, FÍSICO-QUÍMICA ORGÂNICA

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    • ABNT

      OLIVATO, Paulo Roberto et al. Conformational and electronic interaction studies of some 'alfa'-ethylsulfinyl p-substituted acetophenones. Journal of Molecular Structure-Theochem, v. 577, n. 2-3, p. 177-186, 2002Tradução . . Disponível em: https://doi.org/10.1016/s0166-1280(01)00664-9. Acesso em: 08 nov. 2025.
    • APA

      Olivato, P. R., Reis, A. K. C. A., Ruiz Filho, R., Dal Colle, M., & Distefano, G. (2002). Conformational and electronic interaction studies of some 'alfa'-ethylsulfinyl p-substituted acetophenones. Journal of Molecular Structure-Theochem, 577( 2-3), 177-186. doi:10.1016/s0166-1280(01)00664-9
    • NLM

      Olivato PR, Reis AKCA, Ruiz Filho R, Dal Colle M, Distefano G. Conformational and electronic interaction studies of some 'alfa'-ethylsulfinyl p-substituted acetophenones [Internet]. Journal of Molecular Structure-Theochem. 2002 ; 577( 2-3): 177-186.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1016/s0166-1280(01)00664-9
    • Vancouver

      Olivato PR, Reis AKCA, Ruiz Filho R, Dal Colle M, Distefano G. Conformational and electronic interaction studies of some 'alfa'-ethylsulfinyl p-substituted acetophenones [Internet]. Journal of Molecular Structure-Theochem. 2002 ; 577( 2-3): 177-186.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1016/s0166-1280(01)00664-9
  • Source: Journal of Molecular Structure-Theochem. Unidade: IF

    Subjects: BIOFÍSICA, ESTRUTURA MOLECULAR (FÍSICA MODERNA)

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    • ABNT

      CHAUDHURI, Puspitapallab e CANUTO, Sylvio Roberto Accioly. Corregendum to "an ab initio study of the peptide bond formation between alanine and glycine: electron correlation effetcs on the structure and binding energy". [J. Mol. Struct. (Theochem) 577 (2002 267-279]. Journal of Molecular Structure-Theochem, v. 586, n. 1-3, p. 241, 2002Tradução . . Disponível em: http://www.sciencedirect.com/science?_ob=JournalURL&_cdi=5263&_auth=y&_acct=C000049650&_version=1&_urlVersion=0&_userid=972067&md5=dec2bba454fee4c4d16ae47b14c27176. Acesso em: 08 nov. 2025.
    • APA

      Chaudhuri, P., & Canuto, S. R. A. (2002). Corregendum to "an ab initio study of the peptide bond formation between alanine and glycine: electron correlation effetcs on the structure and binding energy". [J. Mol. Struct. (Theochem) 577 (2002 267-279]. Journal of Molecular Structure-Theochem, 586( 1-3), 241. Recuperado de http://www.sciencedirect.com/science?_ob=JournalURL&_cdi=5263&_auth=y&_acct=C000049650&_version=1&_urlVersion=0&_userid=972067&md5=dec2bba454fee4c4d16ae47b14c27176
    • NLM

      Chaudhuri P, Canuto SRA. Corregendum to "an ab initio study of the peptide bond formation between alanine and glycine: electron correlation effetcs on the structure and binding energy". [J. Mol. Struct. (Theochem) 577 (2002 267-279] [Internet]. Journal of Molecular Structure-Theochem. 2002 ; 586( 1-3): 241.[citado 2025 nov. 08 ] Available from: http://www.sciencedirect.com/science?_ob=JournalURL&_cdi=5263&_auth=y&_acct=C000049650&_version=1&_urlVersion=0&_userid=972067&md5=dec2bba454fee4c4d16ae47b14c27176
    • Vancouver

      Chaudhuri P, Canuto SRA. Corregendum to "an ab initio study of the peptide bond formation between alanine and glycine: electron correlation effetcs on the structure and binding energy". [J. Mol. Struct. (Theochem) 577 (2002 267-279] [Internet]. Journal of Molecular Structure-Theochem. 2002 ; 586( 1-3): 241.[citado 2025 nov. 08 ] Available from: http://www.sciencedirect.com/science?_ob=JournalURL&_cdi=5263&_auth=y&_acct=C000049650&_version=1&_urlVersion=0&_userid=972067&md5=dec2bba454fee4c4d16ae47b14c27176
  • Source: Journal of Molecular Structure-Theochem. Unidade: IF

    Assunto: QUÍMICA

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    • ABNT

      COUTINHO, Kaline Rabelo et al. A Monte Carlo-quantum mechanics study of the spectroscopic properties of molecules in solution. Journal of Molecular Structure-Theochem, v. 539, p. 171-179, 2001Tradução . . Disponível em: https://doi.org/10.1016/s0166-1280(00)00786-7. Acesso em: 08 nov. 2025.
    • APA

      Coutinho, K. R., Saavedra, N., Serrano, A., & Canuto, S. R. A. (2001). A Monte Carlo-quantum mechanics study of the spectroscopic properties of molecules in solution. Journal of Molecular Structure-Theochem, 539, 171-179. doi:10.1016/s0166-1280(00)00786-7
    • NLM

      Coutinho KR, Saavedra N, Serrano A, Canuto SRA. A Monte Carlo-quantum mechanics study of the spectroscopic properties of molecules in solution [Internet]. Journal of Molecular Structure-Theochem. 2001 ; 539 171-179.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1016/s0166-1280(00)00786-7
    • Vancouver

      Coutinho KR, Saavedra N, Serrano A, Canuto SRA. A Monte Carlo-quantum mechanics study of the spectroscopic properties of molecules in solution [Internet]. Journal of Molecular Structure-Theochem. 2001 ; 539 171-179.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1016/s0166-1280(00)00786-7
  • Source: Journal of Molecular Structure-Theochem. Unidade: IF

    Subjects: ESTRUTURA ELETRÔNICA, MÉTODO DE MONTE CARLO

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    • ABNT

      FAGAN, Solange Binotto et al. Stability investigation and thermal behavior of a hypothetical silicon nanotube. Journal of Molecular Structure-Theochem, v. 539, p. 101-106, 2001Tradução . . Disponível em: https://doi.org/10.1016/s0166-1280(00)00777-6. Acesso em: 08 nov. 2025.
    • APA

      Fagan, S. B., Mota, R., Baierle, R. J., Paiva, C., Silva, A. J. R. da, & Fazzio, A. (2001). Stability investigation and thermal behavior of a hypothetical silicon nanotube. Journal of Molecular Structure-Theochem, 539, 101-106. doi:10.1016/s0166-1280(00)00777-6
    • NLM

      Fagan SB, Mota R, Baierle RJ, Paiva C, Silva AJR da, Fazzio A. Stability investigation and thermal behavior of a hypothetical silicon nanotube [Internet]. Journal of Molecular Structure-Theochem. 2001 ; 539 101-106.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1016/s0166-1280(00)00777-6
    • Vancouver

      Fagan SB, Mota R, Baierle RJ, Paiva C, Silva AJR da, Fazzio A. Stability investigation and thermal behavior of a hypothetical silicon nanotube [Internet]. Journal of Molecular Structure-Theochem. 2001 ; 539 101-106.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1016/s0166-1280(00)00777-6

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