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Artigo de periodico
Relativistic effects on inversion barriers of pyramidal group 15 hydrides (2018)
Santiago, Regis Tadeu; Haiduke, Roberto Luiz Andrade
Source: International Journal of Quantum Chemistry. Unidade: IQSC
Assunto: QUÍMICA QUÂNTICA
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ABNT
SANTIAGO, Regis Tadeu e HAIDUKE, Roberto Luiz Andrade. Relativistic effects on inversion barriers of pyramidal group 15 hydrides. International Journal of Quantum Chemistry, p. 1-8, 2018Tradução . . Disponível em: https://doi.org/10.1002/qua.25585. Acesso em: 08 nov. 2024.
APA
Santiago, R. T., & Haiduke, R. L. A. (2018). Relativistic effects on inversion barriers of pyramidal group 15 hydrides. International Journal of Quantum Chemistry, 1-8. doi:10.1002/qua.25585
NLM
Santiago RT, Haiduke RLA. Relativistic effects on inversion barriers of pyramidal group 15 hydrides [Internet]. International Journal of Quantum Chemistry. 2018 ; 1-8.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.25585
Vancouver
Santiago RT, Haiduke RLA. Relativistic effects on inversion barriers of pyramidal group 15 hydrides [Internet]. International Journal of Quantum Chemistry. 2018 ; 1-8.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.25585
Artigo de periodico
A quantum theory atoms in molecules investigation of Lewis base protonation (2017)
Silva, Natieli Alves da; Terrabuio, Luiz Alberto; Haiduke, Roberto Luiz Andrade
Source: International Journal of Quantum Chemistry. Unidade: IQSC
Assunto: ÁTOMOS
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SILVA, Natieli Alves da e TERRABUIO, Luiz Alberto e HAIDUKE, Roberto Luiz Andrade. A quantum theory atoms in molecules investigation of Lewis base protonation. International Journal of Quantum Chemistry, v. 117, n. 3, p. 197-297, 2017Tradução . . Disponível em: https://doi.org/10.1002/qua.25310. Acesso em: 08 nov. 2024.
APA
Silva, N. A. da, Terrabuio, L. A., & Haiduke, R. L. A. (2017). A quantum theory atoms in molecules investigation of Lewis base protonation. International Journal of Quantum Chemistry, 117( 3), 197-297. doi:10.1002/qua.25310
NLM
Silva NA da, Terrabuio LA, Haiduke RLA. A quantum theory atoms in molecules investigation of Lewis base protonation [Internet]. International Journal of Quantum Chemistry. 2017 ; 117( 3): 197-297.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.25310
Vancouver
Silva NA da, Terrabuio LA, Haiduke RLA. A quantum theory atoms in molecules investigation of Lewis base protonation [Internet]. International Journal of Quantum Chemistry. 2017 ; 117( 3): 197-297.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.25310
Artigo de periodico
The generator coordinate method in the unrestricted hartree-fock formalism (2012)
Angelotti, Wagner Fernando Delfino; Haiduke, Roberto Luiz Andrade ; Trsic, Milan
Source: International Journal of Quantum Chemistry. Unidade: IQSC
Assunto: QUÍMICA TEÓRICA
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ABNT
ANGELOTTI, Wagner Fernando Delfino e HAIDUKE, Roberto Luiz Andrade e TRSIC, Milan. The generator coordinate method in the unrestricted hartree-fock formalism. International Journal of Quantum Chemistry, v. 112, n. 4, p. 941-947, 2012Tradução . . Disponível em: https://doi.org/10.1002/qua.23013. Acesso em: 08 nov. 2024.
APA
Angelotti, W. F. D., Haiduke, R. L. A., & Trsic, M. (2012). The generator coordinate method in the unrestricted hartree-fock formalism. International Journal of Quantum Chemistry, 112( 4), 941-947. doi:10.1002/qua.23013
NLM
Angelotti WFD, Haiduke RLA, Trsic M. The generator coordinate method in the unrestricted hartree-fock formalism [Internet]. International Journal of Quantum Chemistry. 2012 ; 112( 4): 941-947.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.23013
Vancouver
Angelotti WFD, Haiduke RLA, Trsic M. The generator coordinate method in the unrestricted hartree-fock formalism [Internet]. International Journal of Quantum Chemistry. 2012 ; 112( 4): 941-947.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.23013
Artigo de periodico
Electrostatic potentials and polarization effects in proton-molecule interactions by means of multipoles from the quantum theory of atoms in molecules (2012)
Terrabuio, Luiz Alberto; Haiduke, Roberto Luiz Andrade
Source: International Journal of Quantum Chemistry. Unidade: IQSC
Assunto: QUÍMICA TEÓRICA
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ABNT
TERRABUIO, Luiz Alberto e HAIDUKE, Roberto Luiz Andrade. Electrostatic potentials and polarization effects in proton-molecule interactions by means of multipoles from the quantum theory of atoms in molecules. International Journal of Quantum Chemistry, v. 112, n. 19, p. 3198-3204, 2012Tradução . . Disponível em: https://doi.org/10.1002/qua.24135. Acesso em: 08 nov. 2024.
APA
Terrabuio, L. A., & Haiduke, R. L. A. (2012). Electrostatic potentials and polarization effects in proton-molecule interactions by means of multipoles from the quantum theory of atoms in molecules. International Journal of Quantum Chemistry, 112( 19), 3198-3204. doi:10.1002/qua.24135
NLM
Terrabuio LA, Haiduke RLA. Electrostatic potentials and polarization effects in proton-molecule interactions by means of multipoles from the quantum theory of atoms in molecules [Internet]. International Journal of Quantum Chemistry. 2012 ; 112( 19): 3198-3204.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.24135
Vancouver
Terrabuio LA, Haiduke RLA. Electrostatic potentials and polarization effects in proton-molecule interactions by means of multipoles from the quantum theory of atoms in molecules [Internet]. International Journal of Quantum Chemistry. 2012 ; 112( 19): 3198-3204.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.24135
Artigo de periodico
Theoretical models for the antitrypanosomal activity of thiosemicarbazone derivatives (2012)
Lozano, Norka Beatriz Huaman; Weber, Karen Cacilda; Honório, Kathia Maria; Guido, Rafael Victorio Carvalho ; Andricopulo, Adriano Defini ; Silva, Alberico Borges Ferreira da
Source: International Journal of Quantum Chemistry. Unidades: EACH, IFSC, IQSC
Assunto: QUÍMICA TEÓRICA
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ABNT
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: 08 nov. 2024.
APA
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 nov. 08 ] 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 nov. 08 ] Available from: https://doi.org/10.1002/qua.24213
Artigo de periodico
An atomic charge study of highly ionic diatomic molecular systems (2010)
Nakazato, Daniel T I; Sá, Eduardo Lemos de; Haiduke, Roberto Luiz Andrade
Source: International Journal of Quantum Chemistry. Unidade: IQSC
Assunto: QUÍMICA TEÓRICA
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ABNT
NAKAZATO, Daniel T I e SÁ, Eduardo Lemos de e HAIDUKE, Roberto Luiz Andrade. An atomic charge study of highly ionic diatomic molecular systems. International Journal of Quantum Chemistry, v. 110, n. 15, p. 1729-1737, 2010Tradução . . Disponível em: https://doi.org/10.1002/qua.22296. Acesso em: 08 nov. 2024.
APA
Nakazato, D. T. I., Sá, E. L. de, & Haiduke, R. L. A. (2010). An atomic charge study of highly ionic diatomic molecular systems. International Journal of Quantum Chemistry, 110( 15), 1729-1737. doi:10.1002/qua.22296
NLM
Nakazato DTI, Sá EL de, Haiduke RLA. An atomic charge study of highly ionic diatomic molecular systems [Internet]. International Journal of Quantum Chemistry. 2010 ; 110( 15): 1729-1737.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.22296
Vancouver
Nakazato DTI, Sá EL de, Haiduke RLA. An atomic charge study of highly ionic diatomic molecular systems [Internet]. International Journal of Quantum Chemistry. 2010 ; 110( 15): 1729-1737.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.22296
Artigo de periodico
Crystal structure and theoretical calculations of Julocrotine, a natural product with antileishmanial activity (2008)
Moreira, Rafael Y. O.; Brasil, Davi S. B.; Alves, Claúdio N.; Guilhon, Gisele M. S. P.; Santos, Lourivaldo S.; Arruda, Mara S. P.; Müller, Adolfo H.; Barbosa, Patrícia S.; Abreu, Alcicley S.; Silva, Edilene O.; Rumjanek, Vicotr M.; Souza Junior, Jaime; Silva, Alberico Borges Ferreira da ; Santos, Regina Helena de Almeida
Source: International Journal of Quantum Chemistry. Unidade: IQSC
Assunto: QUÍMICA
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ABNT
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: 08 nov. 2024.
APA
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
NLM
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 nov. 08 ] 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 nov. 08 ] Available from: https://doi.org/10.1002/qua.21355
Artigo de periodico
Density functional theory study of metabolic derivatives of the oxidation of paracetamol (2006)
Alves, Cláudio Nahum; Borges, R S; Silva, Alberico Borges Ferreira da
Source: International Journal of Quantum Chemistry. Unidade: IQSC
Subjects: QUÍMICA FARMACÊUTICA, OXIDAÇÃO
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ABNT
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: 08 nov. 2024.
APA
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 nov. 08 ] 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 nov. 08 ] Available from: https://doi.org/10.1002/qua.20992
Artigo de periodico
Adapted relativistic prolapse-free gaussian basis sets for closed shell atoms up to nobelium and to be used with the uniform sphere nucleus model (2006)
Macedo, Luiz Guilherme Machado de; Haiduke, Roberto Luiz Andrade ; Comar Junior, Moacyr; Silva, Alberico Borges Ferreira da
Source: International Journal of Quantum Chemistry. Unidade: IQSC
Assunto: QUÍMICA
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ABNT
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: 08 nov. 2024.
APA
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 nov. 08 ] 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 nov. 08 ] Available from: https://doi.org/10.1002/qua.21076
Artigo de periodico
New adapted Gaussian basis sets for the relativistic closed shell atoms from helium to barium generated with the generator coordinate Dirac-Fock method (2005)
Macedo, Luiz Guilherme Machado de; Morgon, N H; Haiduke, Roberto Luiz Andrade ; Barbosa, R. C.; Silva, Alberico Borges Ferreira da
Source: International Journal of Quantum Chemistry. Unidade: IQSC
Assunto: QUÍMICA QUÂNTICA
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ABNT
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: 08 nov. 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 nov. 08 ] 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 nov. 08 ] Available from: https://doi.org/10.1002/qua.20555
Artigo de periodico
Relativistic Gaussian basis sets obtained with a polynomial version of the generator coordinate Dirac-Fock method: Ionization energies of some closed-shell atomic systems (2005)
Haiduke, Roberto Luiz Andrade ; Macedo, Luiz Guilherme Machado de; Barbosa, R. C.; Morgon, N H; Silva, Alberico Borges Ferreira da
Source: International Journal of Quantum Chemistry. Unidade: IQSC
Assunto: QUÍMICA QUÂNTICA
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ABNT
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: 08 nov. 2024.
APA
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 nov. 08 ] 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 nov. 08 ] Available from: https://doi.org/10.1002/qua.20587
Artigo de periodico
Selection of quantum chemical descriptors by chemometric methods in the study of antioxidant activity of flavonoid compounds (2005)
Weber, Karen Cacilda; Honório, Káthia Maria; Silva, Saulo Luís da; Mercadante, Ricardo; Silva, Alberico Borges Ferreira da
Source: International Journal of Quantum Chemistry. Unidade: IQSC
Assunto: QUÍMICA QUÂNTICA
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ABNT
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: 08 nov. 2024.
APA
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 nov. 08 ] 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 nov. 08 ] Available from: https://doi.org/10.1002/qua.20527
Artigo de periodico
Highly accurate relativistic universal Gaussian basis set for Dirac-Fock-Breit calculations (2005)
Macedo, Luiz Guilherme Machado de; Barbosa, R C; Silva, Alberico Borges Ferreira da
Source: International Journal of Quantum Chemistry. Unidade: IQSC
Assunto: QUÍMICA QUÂNTICA
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ABNT
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: 08 nov. 2024.
APA
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 nov. 08 ] 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 nov. 08 ] Available from: https://doi.org/10.1002/qua.20260
Artigo de periodico
Quantum chemical and statistical study of megazol-derived compounds with trypanocidal activity (2005)
Rosselli, Flávia Pirola; Albuquerque, Cristina Northfleet de ; Silva, Alberico Borges Ferreira da
Source: International Journal of Quantum Chemistry. Unidades: FCF, IQSC
Assunto: QUÍMICA QUÂNTICA
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ABNT
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: 08 nov. 2024.
APA
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 nov. 08 ] 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 nov. 08 ] Available from: https://doi.org/10.1002/qua.20532
Artigo de periodico
Energy lowering of current-carrying single-particle states in open-shell atoms due to an exchange-correlation vector potential (2005)
Orestes, E; Silva, Alberico Borges Ferreira da ; Capelle, Klaus
Source: International Journal of Quantum Chemistry. Unidades: IQSC, IFSC
Assunto: QUÍMICA QUÂNTICA
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ABNT
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: 08 nov. 2024.
APA
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 nov. 08 ] 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 nov. 08 ] Available from: https://doi.org/10.1002/qua.20575
Artigo de periodico
An AM1 study on the electron-donating and electron-accepting character of biomolecules (2003)
Honório, Káthia Maria; Silva, Alberico Borges Ferreira da
Source: International Journal of Quantum Chemistry. Unidade: IQSC
Assunto: QUÍMICA QUÂNTICA
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ABNT
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: 08 nov. 2024.
APA
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 nov. 08 ] 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 nov. 08 ] Available from: https://doi.org/10.1002/qua.10661
Artigo de periodico
Theoretical study on the stereochemistry of intramolecular hetero Diels-Alder cycloaddition reactions of azoalkenes (2003)
Alves, Cláudio Nahum; Romero, O. A. S.; Silva, Alberico Borges Ferreira da
Source: International Journal of Quantum Chemistry. Unidade: IQSC
Subjects: QUÍMICA QUÂNTICA, QUÍMICA TEÓRICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
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: 08 nov. 2024.
APA
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 nov. 08 ] 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 nov. 08 ] Available from: https://doi.org/10.1002/qua.10662
Artigo de periodico
Hydrogen-type orbitals in terms of Gaussian functions (1997)
Costa, Herbert Florey Martins da; Trsic, Milan; Simas, Alfredo M
Source: International Journal of Quantum Chemistry. Unidade: IQSC
Assunto: FÍSICA MODERNA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
COSTA, Herbert Florey Martins da e TRSIC, Milan e SIMAS, Alfredo M. Hydrogen-type orbitals in terms of Gaussian functions. International Journal of Quantum Chemistry, v. 65, n. 2, p. 143-150, 1997Tradução . . Disponível em: https://doi.org/10.1002/(sici)1097-461x(1997)65:2%3C143::aid-qua5%3E3.0.co;2-w. Acesso em: 08 nov. 2024.
APA
Costa, H. F. M. da, Trsic, M., & Simas, A. M. (1997). Hydrogen-type orbitals in terms of Gaussian functions. International Journal of Quantum Chemistry, 65( 2), 143-150. doi:10.1002/(sici)1097-461x(1997)65:2%3C143::aid-qua5%3E3.0.co;2-w
NLM
Costa HFM da, Trsic M, Simas AM. Hydrogen-type orbitals in terms of Gaussian functions [Internet]. International Journal of Quantum Chemistry. 1997 ; 65( 2): 143-150.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/(sici)1097-461x(1997)65:2%3C143::aid-qua5%3E3.0.co;2-w
Vancouver
Costa HFM da, Trsic M, Simas AM. Hydrogen-type orbitals in terms of Gaussian functions [Internet]. International Journal of Quantum Chemistry. 1997 ; 65( 2): 143-150.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/(sici)1097-461x(1997)65:2%3C143::aid-qua5%3E3.0.co;2-w
Artigo de periodico
Generator coordinate hartree-fock method applied to the choice of a contracted gaussian basis for the second-row atoms (1997)
Pinheiro, J. C.; Silva, Alberico Borges Ferreira da ; Trsic, M
Source: International Journal of Quantum Chemistry. Unidade: IQSC
Assunto: QUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
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: 08 nov. 2024.
APA
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 nov. 08 ] 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 nov. 08 ] Available from: https://doi.org/10.1002/(sici)1097-461x(1997)63:5%3C927::aid-qua3%3E3.0.co;2-y
Artigo de periodico
Ab initio calculations of relativistic and electron correlation effects in polyatomics using the universal gaussian basis set: 'XE''F IND.2' (1995)
Malli, G L; Styszynski, J; Silva, Alberico Borges Ferreira da
Source: International Journal of Quantum Chemistry. Unidade: IQSC
Assunto: QUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
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: 08 nov. 2024.
APA
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 nov. 08 ] 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 nov. 08 ] Available from: https://doi.org/10.1002/qua.560550302

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