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  • Source: International Journal of Quantum Chemistry. Unidades: EACH, IFSC, IQSC

    Assunto: QUÍMICA TEÓRICA

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      LOZANO, Norka Beatriz Huaman et al. Theoretical models for the antitrypanosomal activity of thiosemicarbazone derivatives. International Journal of Quantum Chemistry, v. 112, n. 20, p. 3364-3370, 2012Tradução . . Disponível em: https://doi.org/10.1002/qua.24213. Acesso em: 31 ago. 2024.
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      Lozano, N. B. H., Weber, K. C., Honório, K. M., Guido, R. V. C., Andricopulo, A. D., & Silva, A. B. F. da. (2012). Theoretical models for the antitrypanosomal activity of thiosemicarbazone derivatives. International Journal of Quantum Chemistry, 112( 20), 3364-3370. doi:10.1002/qua.24213
    • NLM

      Lozano NBH, Weber KC, Honório KM, Guido RVC, Andricopulo AD, Silva ABF da. Theoretical models for the antitrypanosomal activity of thiosemicarbazone derivatives [Internet]. International Journal of Quantum Chemistry. 2012 ; 112( 20): 3364-3370.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.24213
    • Vancouver

      Lozano NBH, Weber KC, Honório KM, Guido RVC, Andricopulo AD, Silva ABF da. Theoretical models for the antitrypanosomal activity of thiosemicarbazone derivatives [Internet]. International Journal of Quantum Chemistry. 2012 ; 112( 20): 3364-3370.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.24213
  • Source: International Journal of Quantum Chemistry. Unidade: IQSC

    Assunto: QUÍMICA

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      MOREIRA, Rafael Y. O. et al. Crystal structure and theoretical calculations of Julocrotine, a natural product with antileishmanial activity. International Journal of Quantum Chemistry, v. 108, n. 3, p. 513-520, 2008Tradução . . Disponível em: https://doi.org/10.1002/qua.21355. Acesso em: 31 ago. 2024.
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      Moreira, R. Y. O., Brasil, D. S. B., Alves, C. N., Guilhon, G. M. S. P., Santos, L. S., Arruda, M. S. P., et al. (2008). Crystal structure and theoretical calculations of Julocrotine, a natural product with antileishmanial activity. International Journal of Quantum Chemistry, 108( 3), 513-520. doi:10.1002/qua.21355
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      Moreira RYO, Brasil DSB, Alves CN, Guilhon GMSP, Santos LS, Arruda MSP, Müller AH, Barbosa PS, Abreu AS, Silva EO, Rumjanek VM, Souza Junior J, Silva ABF da, Santos RH de A. Crystal structure and theoretical calculations of Julocrotine, a natural product with antileishmanial activity [Internet]. International Journal of Quantum Chemistry. 2008 ; 108( 3): 513-520.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.21355
    • Vancouver

      Moreira RYO, Brasil DSB, Alves CN, Guilhon GMSP, Santos LS, Arruda MSP, Müller AH, Barbosa PS, Abreu AS, Silva EO, Rumjanek VM, Souza Junior J, Silva ABF da, Santos RH de A. Crystal structure and theoretical calculations of Julocrotine, a natural product with antileishmanial activity [Internet]. International Journal of Quantum Chemistry. 2008 ; 108( 3): 513-520.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.21355
  • Source: International Journal of Quantum Chemistry. Unidade: IQSC

    Subjects: QUÍMICA FARMACÊUTICA, OXIDAÇÃO

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      ALVES, Cláudio Nahum e BORGES, R S e SILVA, Alberico Borges Ferreira da. Density functional theory study of metabolic derivatives of the oxidation of paracetamol. International Journal of Quantum Chemistry, v. 106, n. 13, p. 2617-2623, 2006Tradução . . Disponível em: https://doi.org/10.1002/qua.20992. Acesso em: 31 ago. 2024.
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      Alves, C. N., Borges, R. S., & Silva, A. B. F. da. (2006). Density functional theory study of metabolic derivatives of the oxidation of paracetamol. International Journal of Quantum Chemistry, 106( 13), 2617-2623. doi:10.1002/qua.20992
    • NLM

      Alves CN, Borges RS, Silva ABF da. Density functional theory study of metabolic derivatives of the oxidation of paracetamol [Internet]. International Journal of Quantum Chemistry. 2006 ; 106( 13): 2617-2623.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.20992
    • Vancouver

      Alves CN, Borges RS, Silva ABF da. Density functional theory study of metabolic derivatives of the oxidation of paracetamol [Internet]. International Journal of Quantum Chemistry. 2006 ; 106( 13): 2617-2623.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.20992
  • Source: International Journal of Quantum Chemistry. Unidade: IQSC

    Assunto: QUÍMICA

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      MACEDO, Luiz Guilherme Machado de et al. Adapted relativistic prolapse-free gaussian basis sets for closed shell atoms up to nobelium and to be used with the uniform sphere nucleus model. International Journal of Quantum Chemistry, v. 106, n. 13, p. 2790-2803, 2006Tradução . . Disponível em: https://doi.org/10.1002/qua.21076. Acesso em: 31 ago. 2024.
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      Macedo, L. G. M. de, Haiduke, R. L. A., Comar Junior, M., & Silva, A. B. F. da. (2006). Adapted relativistic prolapse-free gaussian basis sets for closed shell atoms up to nobelium and to be used with the uniform sphere nucleus model. International Journal of Quantum Chemistry, 106( 13), 2790-2803. doi:10.1002/qua.21076
    • NLM

      Macedo LGM de, Haiduke RLA, Comar Junior M, Silva ABF da. Adapted relativistic prolapse-free gaussian basis sets for closed shell atoms up to nobelium and to be used with the uniform sphere nucleus model [Internet]. International Journal of Quantum Chemistry. 2006 ; 106( 13): 2790-2803.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.21076
    • Vancouver

      Macedo LGM de, Haiduke RLA, Comar Junior M, Silva ABF da. Adapted relativistic prolapse-free gaussian basis sets for closed shell atoms up to nobelium and to be used with the uniform sphere nucleus model [Internet]. International Journal of Quantum Chemistry. 2006 ; 106( 13): 2790-2803.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.21076
  • Source: International Journal of Quantum Chemistry. Unidade: IQSC

    Assunto: QUÍMICA QUÂNTICA

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      MACEDO, Luiz Guilherme Machado de et al. New adapted Gaussian basis sets for the relativistic closed shell atoms from helium to barium generated with the generator coordinate Dirac-Fock method. International Journal of Quantum Chemistry, v. 103, n. 5, p. 523-528, 2005Tradução . . Disponível em: https://doi.org/10.1002/qua.20555. Acesso em: 31 ago. 2024.
    • APA

      Macedo, L. G. M. de, Morgon, N. H., Haiduke, R. L. A., Barbosa, R. C., & Silva, A. B. F. da. (2005). New adapted Gaussian basis sets for the relativistic closed shell atoms from helium to barium generated with the generator coordinate Dirac-Fock method. International Journal of Quantum Chemistry, 103( 5), 523-528. doi:10.1002/qua.20555
    • NLM

      Macedo LGM de, Morgon NH, Haiduke RLA, Barbosa RC, Silva ABF da. New adapted Gaussian basis sets for the relativistic closed shell atoms from helium to barium generated with the generator coordinate Dirac-Fock method [Internet]. International Journal of Quantum Chemistry. 2005 ; 103( 5): 523-528.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.20555
    • Vancouver

      Macedo LGM de, Morgon NH, Haiduke RLA, Barbosa RC, Silva ABF da. New adapted Gaussian basis sets for the relativistic closed shell atoms from helium to barium generated with the generator coordinate Dirac-Fock method [Internet]. International Journal of Quantum Chemistry. 2005 ; 103( 5): 523-528.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.20555
  • Source: International Journal of Quantum Chemistry. Unidade: IQSC

    Assunto: QUÍMICA QUÂNTICA

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      HAIDUKE, Roberto Luiz Andrade et al. Relativistic Gaussian basis sets obtained with a polynomial version of the generator coordinate Dirac-Fock method: Ionization energies of some closed-shell atomic systems. International Journal of Quantum Chemistry, v. 103, n. 5, p. 529-536, 2005Tradução . . Disponível em: https://doi.org/10.1002/qua.20587. Acesso em: 31 ago. 2024.
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      Haiduke, R. L. A., Macedo, L. G. M. de, Barbosa, R. C., Morgon, N. H., & Silva, A. B. F. da. (2005). Relativistic Gaussian basis sets obtained with a polynomial version of the generator coordinate Dirac-Fock method: Ionization energies of some closed-shell atomic systems. International Journal of Quantum Chemistry, 103( 5), 529-536. doi:10.1002/qua.20587
    • NLM

      Haiduke RLA, Macedo LGM de, Barbosa RC, Morgon NH, Silva ABF da. Relativistic Gaussian basis sets obtained with a polynomial version of the generator coordinate Dirac-Fock method: Ionization energies of some closed-shell atomic systems [Internet]. International Journal of Quantum Chemistry. 2005 ; 103( 5): 529-536.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.20587
    • Vancouver

      Haiduke RLA, Macedo LGM de, Barbosa RC, Morgon NH, Silva ABF da. Relativistic Gaussian basis sets obtained with a polynomial version of the generator coordinate Dirac-Fock method: Ionization energies of some closed-shell atomic systems [Internet]. International Journal of Quantum Chemistry. 2005 ; 103( 5): 529-536.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.20587
  • Source: International Journal of Quantum Chemistry. Unidade: IQSC

    Assunto: QUÍMICA QUÂNTICA

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      WEBER, Karen Cacilda et al. Selection of quantum chemical descriptors by chemometric methods in the study of antioxidant activity of flavonoid compounds. International Journal of Quantum Chemistry, v. 103, n. 5, p. 731-737, 2005Tradução . . Disponível em: https://doi.org/10.1002/qua.20527. Acesso em: 31 ago. 2024.
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      Weber, K. C., Honório, K. M., Silva, S. L. da, Mercadante, R., & Silva, A. B. F. da. (2005). Selection of quantum chemical descriptors by chemometric methods in the study of antioxidant activity of flavonoid compounds. International Journal of Quantum Chemistry, 103( 5), 731-737. doi:10.1002/qua.20527
    • NLM

      Weber KC, Honório KM, Silva SL da, Mercadante R, Silva ABF da. Selection of quantum chemical descriptors by chemometric methods in the study of antioxidant activity of flavonoid compounds [Internet]. International Journal of Quantum Chemistry. 2005 ; 103( 5): 731-737.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.20527
    • Vancouver

      Weber KC, Honório KM, Silva SL da, Mercadante R, Silva ABF da. Selection of quantum chemical descriptors by chemometric methods in the study of antioxidant activity of flavonoid compounds [Internet]. International Journal of Quantum Chemistry. 2005 ; 103( 5): 731-737.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.20527
  • Source: International Journal of Quantum Chemistry. Unidade: IQSC

    Assunto: QUÍMICA QUÂNTICA

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      MACEDO, Luiz Guilherme Machado de e BARBOSA, R C e SILVA, Alberico Borges Ferreira da. Highly accurate relativistic universal Gaussian basis set for Dirac-Fock-Breit calculations. International Journal of Quantum Chemistry, v. 102, n. 1, p. 1-7, 2005Tradução . . Disponível em: https://doi.org/10.1002/qua.20260. Acesso em: 31 ago. 2024.
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      Macedo, L. G. M. de, Barbosa, R. C., & Silva, A. B. F. da. (2005). Highly accurate relativistic universal Gaussian basis set for Dirac-Fock-Breit calculations. International Journal of Quantum Chemistry, 102( 1), 1-7. doi:10.1002/qua.20260
    • NLM

      Macedo LGM de, Barbosa RC, Silva ABF da. Highly accurate relativistic universal Gaussian basis set for Dirac-Fock-Breit calculations [Internet]. International Journal of Quantum Chemistry. 2005 ; 102( 1): 1-7.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.20260
    • Vancouver

      Macedo LGM de, Barbosa RC, Silva ABF da. Highly accurate relativistic universal Gaussian basis set for Dirac-Fock-Breit calculations [Internet]. International Journal of Quantum Chemistry. 2005 ; 102( 1): 1-7.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.20260
  • Source: International Journal of Quantum Chemistry. Unidades: FCF, IQSC

    Assunto: QUÍMICA QUÂNTICA

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      ROSSELLI, Flávia Pirola e ALBUQUERQUE, Cristina Northfleet de e SILVA, Alberico Borges Ferreira da. Quantum chemical and statistical study of megazol-derived compounds with trypanocidal activity. International Journal of Quantum Chemistry, v. 103, n. 5, p. 738-748, 2005Tradução . . Disponível em: https://doi.org/10.1002/qua.20532. Acesso em: 31 ago. 2024.
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      Rosselli, F. P., Albuquerque, C. N. de, & Silva, A. B. F. da. (2005). Quantum chemical and statistical study of megazol-derived compounds with trypanocidal activity. International Journal of Quantum Chemistry, 103( 5), 738-748. doi:10.1002/qua.20532
    • NLM

      Rosselli FP, Albuquerque CN de, Silva ABF da. Quantum chemical and statistical study of megazol-derived compounds with trypanocidal activity [Internet]. International Journal of Quantum Chemistry. 2005 ; 103( 5): 738-748.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.20532
    • Vancouver

      Rosselli FP, Albuquerque CN de, Silva ABF da. Quantum chemical and statistical study of megazol-derived compounds with trypanocidal activity [Internet]. International Journal of Quantum Chemistry. 2005 ; 103( 5): 738-748.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.20532
  • Source: International Journal of Quantum Chemistry. Unidades: IQSC, IFSC

    Assunto: QUÍMICA QUÂNTICA

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      ORESTES, E e SILVA, Alberico Borges Ferreira da e CAPELLE, Klaus. Energy lowering of current-carrying single-particle states in open-shell atoms due to an exchange-correlation vector potential. International Journal of Quantum Chemistry, v. 103, n. 5, p. 516-522, 2005Tradução . . Disponível em: https://doi.org/10.1002/qua.20575. Acesso em: 31 ago. 2024.
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      Orestes, E., Silva, A. B. F. da, & Capelle, K. (2005). Energy lowering of current-carrying single-particle states in open-shell atoms due to an exchange-correlation vector potential. International Journal of Quantum Chemistry, 103( 5), 516-522. doi:10.1002/qua.20575
    • NLM

      Orestes E, Silva ABF da, Capelle K. Energy lowering of current-carrying single-particle states in open-shell atoms due to an exchange-correlation vector potential [Internet]. International Journal of Quantum Chemistry. 2005 ; 103( 5): 516-522.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.20575
    • Vancouver

      Orestes E, Silva ABF da, Capelle K. Energy lowering of current-carrying single-particle states in open-shell atoms due to an exchange-correlation vector potential [Internet]. International Journal of Quantum Chemistry. 2005 ; 103( 5): 516-522.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.20575
  • Source: International Journal of Quantum Chemistry. Unidade: IQSC

    Assunto: QUÍMICA QUÂNTICA

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      HONÓRIO, Káthia Maria e SILVA, Alberico Borges Ferreira da. An AM1 study on the electron-donating and electron-accepting character of biomolecules. International Journal of Quantum Chemistry, v. 95, n. 2, p. 126-132, 2003Tradução . . Disponível em: https://doi.org/10.1002/qua.10661. Acesso em: 31 ago. 2024.
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      Honório, K. M., & Silva, A. B. F. da. (2003). An AM1 study on the electron-donating and electron-accepting character of biomolecules. International Journal of Quantum Chemistry, 95( 2), 126-132. doi:10.1002/qua.10661
    • NLM

      Honório KM, Silva ABF da. An AM1 study on the electron-donating and electron-accepting character of biomolecules [Internet]. International Journal of Quantum Chemistry. 2003 ; 95( 2): 126-132.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.10661
    • Vancouver

      Honório KM, Silva ABF da. An AM1 study on the electron-donating and electron-accepting character of biomolecules [Internet]. International Journal of Quantum Chemistry. 2003 ; 95( 2): 126-132.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.10661
  • Source: International Journal of Quantum Chemistry. Unidade: IQSC

    Subjects: QUÍMICA QUÂNTICA, QUÍMICA TEÓRICA

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      ALVES, Cláudio Nahum e ROMERO, O. A. S. e SILVA, Alberico Borges Ferreira da. Theoretical study on the stereochemistry of intramolecular hetero Diels-Alder cycloaddition reactions of azoalkenes. International Journal of Quantum Chemistry, v. 95, n. 2, p. 133-136, 2003Tradução . . Disponível em: https://doi.org/10.1002/qua.10662. Acesso em: 31 ago. 2024.
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      Alves, C. N., Romero, O. A. S., & Silva, A. B. F. da. (2003). Theoretical study on the stereochemistry of intramolecular hetero Diels-Alder cycloaddition reactions of azoalkenes. International Journal of Quantum Chemistry, 95( 2), 133-136. doi:10.1002/qua.10662
    • NLM

      Alves CN, Romero OAS, Silva ABF da. Theoretical study on the stereochemistry of intramolecular hetero Diels-Alder cycloaddition reactions of azoalkenes [Internet]. International Journal of Quantum Chemistry. 2003 ; 95( 2): 133-136.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.10662
    • Vancouver

      Alves CN, Romero OAS, Silva ABF da. Theoretical study on the stereochemistry of intramolecular hetero Diels-Alder cycloaddition reactions of azoalkenes [Internet]. International Journal of Quantum Chemistry. 2003 ; 95( 2): 133-136.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.10662
  • Source: International Journal of Quantum Chemistry. Unidade: IQSC

    Assunto: QUÍMICA

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      PINHEIRO, J. C. e SILVA, Alberico Borges Ferreira da e TRSIC, M. Generator coordinate hartree-fock method applied to the choice of a contracted gaussian basis for the second-row atoms. International Journal of Quantum Chemistry, v. 63, n. 5 , p. 927-34, 1997Tradução . . Disponível em: https://doi.org/10.1002/(sici)1097-461x(1997)63:5%3C927::aid-qua3%3E3.0.co;2-y. Acesso em: 31 ago. 2024.
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      Pinheiro, J. C., Silva, A. B. F. da, & Trsic, M. (1997). Generator coordinate hartree-fock method applied to the choice of a contracted gaussian basis for the second-row atoms. International Journal of Quantum Chemistry, 63( 5 ), 927-34. doi:10.1002/(sici)1097-461x(1997)63:5%3C927::aid-qua3%3E3.0.co;2-y
    • NLM

      Pinheiro JC, Silva ABF da, Trsic M. Generator coordinate hartree-fock method applied to the choice of a contracted gaussian basis for the second-row atoms [Internet]. International Journal of Quantum Chemistry. 1997 ;63( 5 ): 927-34.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/(sici)1097-461x(1997)63:5%3C927::aid-qua3%3E3.0.co;2-y
    • Vancouver

      Pinheiro JC, Silva ABF da, Trsic M. Generator coordinate hartree-fock method applied to the choice of a contracted gaussian basis for the second-row atoms [Internet]. International Journal of Quantum Chemistry. 1997 ;63( 5 ): 927-34.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/(sici)1097-461x(1997)63:5%3C927::aid-qua3%3E3.0.co;2-y
  • Source: International Journal of Quantum Chemistry. Unidade: IQSC

    Assunto: QUÍMICA

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      MALLI, G L e STYSZYNSKI, J e SILVA, Alberico Borges Ferreira da. Ab initio calculations of relativistic and electron correlation effects in polyatomics using the universal gaussian basis set: 'XE''F IND.2'. International Journal of Quantum Chemistry, v. 55, n. 3 , p. 213-25, 1995Tradução . . Disponível em: https://doi.org/10.1002/qua.560550302. Acesso em: 31 ago. 2024.
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      Malli, G. L., Styszynski, J., & Silva, A. B. F. da. (1995). Ab initio calculations of relativistic and electron correlation effects in polyatomics using the universal gaussian basis set: 'XE''F IND.2'. International Journal of Quantum Chemistry, 55( 3 ), 213-25. doi:10.1002/qua.560550302
    • NLM

      Malli GL, Styszynski J, Silva ABF da. Ab initio calculations of relativistic and electron correlation effects in polyatomics using the universal gaussian basis set: 'XE''F IND.2' [Internet]. International Journal of Quantum Chemistry. 1995 ;55( 3 ): 213-25.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.560550302
    • Vancouver

      Malli GL, Styszynski J, Silva ABF da. Ab initio calculations of relativistic and electron correlation effects in polyatomics using the universal gaussian basis set: 'XE''F IND.2' [Internet]. International Journal of Quantum Chemistry. 1995 ;55( 3 ): 213-25.[citado 2024 ago. 31 ] Available from: https://doi.org/10.1002/qua.560550302

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