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Artigo de periodico
How does the pH influences the Ru-NO coordination compounds? (2019)
Orenha, Renato Pereira; Galembeck, Sérgio Emanuel
Source: International Journal of Quantum Chemistry. Unidade: FFCLRP
Subjects: QUÍMICA APLICADA, COMPUTAÇÃO APLICADA, ÁTOMOS, ÓXIDO NÍTRICO
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ORENHA, Renato Pereira e GALEMBECK, Sérgio Emanuel. How does the pH influences the Ru-NO coordination compounds?. International Journal of Quantum Chemistry, v. 119, n. 20, 2019Tradução . . Disponível em: https://doi.org/10.1002/qua.25999. Acesso em: 08 nov. 2024.
APA
Orenha, R. P., & Galembeck, S. E. (2019). How does the pH influences the Ru-NO coordination compounds? International Journal of Quantum Chemistry, 119( 20). doi:10.1002/qua.25999
NLM
Orenha RP, Galembeck SE. How does the pH influences the Ru-NO coordination compounds? [Internet]. International Journal of Quantum Chemistry. 2019 ; 119( 20):[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.25999
Vancouver
Orenha RP, Galembeck SE. How does the pH influences the Ru-NO coordination compounds? [Internet]. International Journal of Quantum Chemistry. 2019 ; 119( 20):[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.25999
Artigo de periodico
Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods (2019)
Cezar, Henrique Musseli; Coutinho, Kaline Rabelo ; Canuto, Sylvio Roberto Accioly
Source: International Journal of Quantum Chemistry. Unidade: IF
Subjects: NANOTECNOLOGIA, MODELAGEM MOLECULAR
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ABNT
CEZAR, Henrique Musseli e COUTINHO, Kaline Rabelo e CANUTO, Sylvio Roberto Accioly. Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods. International Journal of Quantum Chemistry, v. 119, n. 1, 2019Tradução . . Disponível em: https://doi-org.ez67.periodicos.capes.gov.br/10.1002/qua.25688. Acesso em: 08 nov. 2024.
APA
Cezar, H. M., Coutinho, K. R., & Canuto, S. R. A. (2019). Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods. International Journal of Quantum Chemistry, 119( 1). doi:10.1002/qua.25688
NLM
Cezar HM, Coutinho KR, Canuto SRA. Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods [Internet]. International Journal of Quantum Chemistry. 2019 ; 119( 1):[citado 2024 nov. 08 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1002/qua.25688
Vancouver
Cezar HM, Coutinho KR, Canuto SRA. Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods [Internet]. International Journal of Quantum Chemistry. 2019 ; 119( 1):[citado 2024 nov. 08 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1002/qua.25688
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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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
NMR spin–spin coupling constants in hydrogen‐bonded glycine clusters (2018)
Chaudhuri, Puspitapallab; Provasi, Patricio F.; Canuto, Sylvio Roberto Accioly
Source: International Journal of Quantum Chemistry. Unidade: IF
Subjects: ESTRUTURA ELETRÔNICA, ELETROSTÁTICA, NUCLEOSÍDEOS, CLUSTERS
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CHAUDHURI, Puspitapallab e PROVASI, Patricio F. e CANUTO, Sylvio Roberto Accioly. NMR spin–spin coupling constants in hydrogen‐bonded glycine clusters. International Journal of Quantum Chemistry, v. 118 n. 15, p. e25608, 2018Tradução . . Disponível em: https://doi.org/10.1002/qua.25608. Acesso em: 08 nov. 2024.
APA
Chaudhuri, P., Provasi, P. F., & Canuto, S. R. A. (2018). NMR spin–spin coupling constants in hydrogen‐bonded glycine clusters. International Journal of Quantum Chemistry, 118 n. 15, e25608. doi:10.1002/qua.25608
NLM
Chaudhuri P, Provasi PF, Canuto SRA. NMR spin–spin coupling constants in hydrogen‐bonded glycine clusters [Internet]. International Journal of Quantum Chemistry. 2018 ; 118 n. 15 e25608.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.25608
Vancouver
Chaudhuri P, Provasi PF, Canuto SRA. NMR spin–spin coupling constants in hydrogen‐bonded glycine clusters [Internet]. International Journal of Quantum Chemistry. 2018 ; 118 n. 15 e25608.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.25608
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
Exploring new species on the [H, S, Se, Cl] potential energy surface (2013)
Hermoso, Willian; Jaufeerally, Naziah B; Ramasami, Ponnadurai; Ornellas, Fernando Rei
Source: International Journal of Quantum Chemistry. Unidade: IQ
Subjects: CALCOGÊNIOS, FÍSICO-QUÍMICA
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ABNT
HERMOSO, Willian et al. Exploring new species on the [H, S, Se, Cl] potential energy surface. International Journal of Quantum Chemistry, v. 113, n. 2, p. 112-118, 2013Tradução . . Disponível em: https://doi.org/10.1002/qua.24191. Acesso em: 08 nov. 2024.
APA
Hermoso, W., Jaufeerally, N. B., Ramasami, P., & Ornellas, F. R. (2013). Exploring new species on the [H, S, Se, Cl] potential energy surface. International Journal of Quantum Chemistry, 113( 2), 112-118. doi:10.1002/qua.24191
NLM
Hermoso W, Jaufeerally NB, Ramasami P, Ornellas FR. Exploring new species on the [H, S, Se, Cl] potential energy surface [Internet]. International Journal of Quantum Chemistry. 2013 ; 113( 2): 112-118.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.24191
Vancouver
Hermoso W, Jaufeerally NB, Ramasami P, Ornellas FR. Exploring new species on the [H, S, Se, Cl] potential energy surface [Internet]. International Journal of Quantum Chemistry. 2013 ; 113( 2): 112-118.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.24191
Artigo de periodico
Hydrogen bond and the resonance effect on the formamide-water complexes (2012)
Parreira, Renato L. T.; Caramori, Giovanni F.; Morgon, Nelson H.; Galembeck, Sergio Emanuel
Source: International Journal of Quantum Chemistry. Unidade: FFCLRP
Subjects: LIGAÇÕES QUÍMICAS, HIDROGÊNIO, QUÍMICA TEÓRICA
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ABNT
PARREIRA, Renato L. T. et al. Hydrogen bond and the resonance effect on the formamide-water complexes. International Journal of Quantum Chemistry, v. 112, n. 5, p. 1401-1420, 2012Tradução . . Disponível em: https://doi.org/10.1002/qua.23124. Acesso em: 08 nov. 2024.
APA
Parreira, R. L. T., Caramori, G. F., Morgon, N. H., & Galembeck, S. E. (2012). Hydrogen bond and the resonance effect on the formamide-water complexes. International Journal of Quantum Chemistry, 112( 5), 1401-1420. doi:10.1002/qua.23124
NLM
Parreira RLT, Caramori GF, Morgon NH, Galembeck SE. Hydrogen bond and the resonance effect on the formamide-water complexes [Internet]. International Journal of Quantum Chemistry. 2012 ; 112( 5): 1401-1420.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.23124
Vancouver
Parreira RLT, Caramori GF, Morgon NH, Galembeck SE. Hydrogen bond and the resonance effect on the formamide-water complexes [Internet]. International Journal of Quantum Chemistry. 2012 ; 112( 5): 1401-1420.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.23124
Editor de periodico
Proceedings of the 16th Brazilian symposium of theoretical chemistry (2012)
Duarte, Hélio; Canuto, Sylvio
Source: International Journal of Quantum Chemistry. Unidade: IF
Subjects: QUÍMICA TEÓRICA, QUÍMICA QUÂNTICA, FÍSICO-QUÍMICA
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DUARTE, Hélio e CANUTO, Sylvio. Proceedings of the 16th Brazilian symposium of theoretical chemistry. International Journal of Quantum Chemistry. New York: Wiley. Disponível em: http://onlinelibrary.wiley.com/doi/10.1002/qua.24261/abstract;jsessionid=988AEF50420D8AF23A10729B73134A99.d03t01. Acesso em: 08 nov. 2024. , 2012
APA
Duarte, H., & Canuto, S. (2012). Proceedings of the 16th Brazilian symposium of theoretical chemistry. International Journal of Quantum Chemistry. New York: Wiley. Recuperado de http://onlinelibrary.wiley.com/doi/10.1002/qua.24261/abstract;jsessionid=988AEF50420D8AF23A10729B73134A99.d03t01
NLM
Duarte H, Canuto S. Proceedings of the 16th Brazilian symposium of theoretical chemistry [Internet]. International Journal of Quantum Chemistry. 2012 ;112( ju2012): 3131.[citado 2024 nov. 08 ] Available from: http://onlinelibrary.wiley.com/doi/10.1002/qua.24261/abstract;jsessionid=988AEF50420D8AF23A10729B73134A99.d03t01
Vancouver
Duarte H, Canuto S. Proceedings of the 16th Brazilian symposium of theoretical chemistry [Internet]. International Journal of Quantum Chemistry. 2012 ;112( ju2012): 3131.[citado 2024 nov. 08 ] Available from: http://onlinelibrary.wiley.com/doi/10.1002/qua.24261/abstract;jsessionid=988AEF50420D8AF23A10729B73134A99.d03t01
Artigo de periodico
Interactions between 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid and 'gama'-'Al IND.2''O IND.3' (100) surface calculated by density functional theory (2012)
Martins, Mateus J. F.; Ferreira, Ary R.; Konstantinova, Elena; Abreu, Heitor A. de; Souza, Wladimir F.; Chiaro, Sandra S. X.; Dias, Luís Gustavo; Leitão, Alexandre A.
Source: International Journal of Quantum Chemistry. Unidade: FFCLRP
Assunto: QUÍMICA
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ABNT
MARTINS, Mateus J. F. et al. Interactions between 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid and 'gama'-'Al IND.2''O IND.3' (100) surface calculated by density functional theory. International Journal of Quantum Chemistry, v. 112, n. 19, p. 3234-3239, 2012Tradução . . Disponível em: https://doi.org/10.1002/qua.24162. Acesso em: 08 nov. 2024.
APA
Martins, M. J. F., Ferreira, A. R., Konstantinova, E., Abreu, H. A. de, Souza, W. F., Chiaro, S. S. X., et al. (2012). Interactions between 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid and 'gama'-'Al IND.2''O IND.3' (100) surface calculated by density functional theory. International Journal of Quantum Chemistry, 112( 19), 3234-3239. doi:10.1002/qua.24162
NLM
Martins MJF, Ferreira AR, Konstantinova E, Abreu HA de, Souza WF, Chiaro SSX, Dias LG, Leitão AA. Interactions between 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid and 'gama'-'Al IND.2''O IND.3' (100) surface calculated by density functional theory [Internet]. International Journal of Quantum Chemistry. 2012 ; 112( 19): 3234-3239.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.24162
Vancouver
Martins MJF, Ferreira AR, Konstantinova E, Abreu HA de, Souza WF, Chiaro SSX, Dias LG, Leitão AA. Interactions between 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid and 'gama'-'Al IND.2''O IND.3' (100) surface calculated by density functional theory [Internet]. International Journal of Quantum Chemistry. 2012 ; 112( 19): 3234-3239.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.24162
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
Isatin-schiff base copper(II) complexes-A DFT study of the metal-ligand bonding situation (2012)
Caramori, Giovanni Finoto; Parreira, Renato Luis Tâme; Ferreira, Ana Maria da Costa
Source: International Journal of Quantum Chemistry. Unidade: IQ
Subjects: BASES (QUÍMICA INORGÂNICA), COBRE, APOPTOSE
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ABNT
CARAMORI, Giovanni Finoto e PARREIRA, Renato Luis Tâme e FERREIRA, Ana Maria da Costa. Isatin-schiff base copper(II) complexes-A DFT study of the metal-ligand bonding situation. International Journal of Quantum Chemistry, v. 112, n. 2, p. 625-646, 2012Tradução . . Disponível em: https://doi.org/10.1002/qua.23030. Acesso em: 08 nov. 2024.
APA
Caramori, G. F., Parreira, R. L. T., & Ferreira, A. M. da C. (2012). Isatin-schiff base copper(II) complexes-A DFT study of the metal-ligand bonding situation. International Journal of Quantum Chemistry, 112( 2), 625-646. doi:10.1002/qua.23030
NLM
Caramori GF, Parreira RLT, Ferreira AM da C. Isatin-schiff base copper(II) complexes-A DFT study of the metal-ligand bonding situation [Internet]. International Journal of Quantum Chemistry. 2012 ; 112( 2): 625-646.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.23030
Vancouver
Caramori GF, Parreira RLT, Ferreira AM da C. Isatin-schiff base copper(II) complexes-A DFT study of the metal-ligand bonding situation [Internet]. International Journal of Quantum Chemistry. 2012 ; 112( 2): 625-646.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.23030
Artigo de periodico
CHARMM force field parameterization of rosiglitazone (2011)
Hansson, Anders; Souza, Paulo C. T.; Silveira, Rodrigo L.; Martínez, Leandro; Skaf, Munir S.
Source: International Journal of Quantum Chemistry. Unidade: IFSC
Subjects: BIOTECNOLOGIA, LIGANTES, RECEPTORES, MOLÉCULA (INTERAÇÃO)
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ABNT
HANSSON, Anders et al. CHARMM force field parameterization of rosiglitazone. International Journal of Quantum Chemistry, v. 111, n. 7/8, p. 1346-1354, 2011Tradução . . Disponível em: https://doi.org/10.1002/qua.22638. Acesso em: 08 nov. 2024.
APA
Hansson, A., Souza, P. C. T., Silveira, R. L., Martínez, L., & Skaf, M. S. (2011). CHARMM force field parameterization of rosiglitazone. International Journal of Quantum Chemistry, 111( 7/8), 1346-1354. doi:10.1002/qua.22638
NLM
Hansson A, Souza PCT, Silveira RL, Martínez L, Skaf MS. CHARMM force field parameterization of rosiglitazone [Internet]. International Journal of Quantum Chemistry. 2011 ; 111( 7/8): 1346-1354.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.22638
Vancouver
Hansson A, Souza PCT, Silveira RL, Martínez L, Skaf MS. CHARMM force field parameterization of rosiglitazone [Internet]. International Journal of Quantum Chemistry. 2011 ; 111( 7/8): 1346-1354.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.22638
Artigo de periodico
Effect of solute flexibility and polarization on the solvatochromic shift of a brominated merocyanine dye in water: a sequential MD/QM study (2011)
Malaspina, Thaciana; Fileti, Eudes Eterno; Bastos, Erick Leite
Source: International Journal of Quantum Chemistry. Unidade: IQ
Subjects: SOLVATAÇÃO, SOLUTO
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ABNT
MALASPINA, Thaciana e FILETI, Eudes Eterno e BASTOS, Erick Leite. Effect of solute flexibility and polarization on the solvatochromic shift of a brominated merocyanine dye in water: a sequential MD/QM study. International Journal of Quantum Chemistry, v. 111, n. 7-8, p. 1607-1615, 2011Tradução . . Disponível em: https://doi.org/10.1002/qua.22684. Acesso em: 08 nov. 2024.
APA
Malaspina, T., Fileti, E. E., & Bastos, E. L. (2011). Effect of solute flexibility and polarization on the solvatochromic shift of a brominated merocyanine dye in water: a sequential MD/QM study. International Journal of Quantum Chemistry, 111( 7-8), 1607-1615. doi:10.1002/qua.22684
NLM
Malaspina T, Fileti EE, Bastos EL. Effect of solute flexibility and polarization on the solvatochromic shift of a brominated merocyanine dye in water: a sequential MD/QM study [Internet]. International Journal of Quantum Chemistry. 2011 ; 111( 7-8): 1607-1615.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.22684
Vancouver
Malaspina T, Fileti EE, Bastos EL. Effect of solute flexibility and polarization on the solvatochromic shift of a brominated merocyanine dye in water: a sequential MD/QM study [Internet]. International Journal of Quantum Chemistry. 2011 ; 111( 7-8): 1607-1615.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.22684
Artigo de periodico
Electronic structure and chemical bonding in the ground and low-lying electronic states of 'Ta IND. 2' (2011)
Borin, Antonio Carlos ; Gobbo, João Paulo
Source: International Journal of Quantum Chemistry. Unidade: IQ
Subjects: ESTRUTURA ELETRÔNICA, ESPECTROSCOPIA
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ABNT
BORIN, Antonio Carlos e GOBBO, João Paulo. Electronic structure and chemical bonding in the ground and low-lying electronic states of 'Ta IND. 2'. International Journal of Quantum Chemistry, v. 111, n. 7-8, p. 1306-1315, 2011Tradução . . Disponível em: https://doi.org/10.1002/qua.22565. Acesso em: 08 nov. 2024.
APA
Borin, A. C., & Gobbo, J. P. (2011). Electronic structure and chemical bonding in the ground and low-lying electronic states of 'Ta IND. 2'. International Journal of Quantum Chemistry, 111( 7-8), 1306-1315. doi:10.1002/qua.22565
NLM
Borin AC, Gobbo JP. Electronic structure and chemical bonding in the ground and low-lying electronic states of 'Ta IND. 2' [Internet]. International Journal of Quantum Chemistry. 2011 ; 111( 7-8): 1306-1315.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.22565
Vancouver
Borin AC, Gobbo JP. Electronic structure and chemical bonding in the ground and low-lying electronic states of 'Ta IND. 2' [Internet]. International Journal of Quantum Chemistry. 2011 ; 111( 7-8): 1306-1315.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.22565
Artigo de periodico
A CASSCF/MRCI study of the low-lying electronic states of the 'BE''S' molecule (2011)
Oliveira Filho, Antonio Gustavo Sampaio de; Alves, Tiago Vinicius; Ribas, Vladir Wagner; Ferrão, Luiz F. A; Roberto Neto, Orlando; Machado, Francisco Bolivar Correto; Ornellas, Fernando Rei
Source: International Journal of Quantum Chemistry. Unidade: IQ
Subjects: CONSTANTES QUÍMICAS, BERÍLIO
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ABNT
OLIVEIRA FILHO, Antonio Gustavo Sampaio de et al. A CASSCF/MRCI study of the low-lying electronic states of the 'BE''S' molecule. International Journal of Quantum Chemistry, v. 111, n. 7-8, p. 1694-1700, 2011Tradução . . Disponível em: https://doi.org/10.1002/qua.22779. Acesso em: 08 nov. 2024.
APA
Oliveira Filho, A. G. S. de, Alves, T. V., Ribas, V. W., Ferrão, L. F. A., Roberto Neto, O., Machado, F. B. C., & Ornellas, F. R. (2011). A CASSCF/MRCI study of the low-lying electronic states of the 'BE''S' molecule. International Journal of Quantum Chemistry, 111( 7-8), 1694-1700. doi:10.1002/qua.22779
NLM
Oliveira Filho AGS de, Alves TV, Ribas VW, Ferrão LFA, Roberto Neto O, Machado FBC, Ornellas FR. A CASSCF/MRCI study of the low-lying electronic states of the 'BE''S' molecule [Internet]. International Journal of Quantum Chemistry. 2011 ; 111( 7-8): 1694-1700.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.22779
Vancouver
Oliveira Filho AGS de, Alves TV, Ribas VW, Ferrão LFA, Roberto Neto O, Machado FBC, Ornellas FR. A CASSCF/MRCI study of the low-lying electronic states of the 'BE''S' molecule [Internet]. International Journal of Quantum Chemistry. 2011 ; 111( 7-8): 1694-1700.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.22779
Artigo de periodico
Gas-phase acylium ion transfer reactions mediated by a proton shuttle mechanism (2011)
Fileti, Eudes Eterno; Oliveira, Anselmo Elcana de; Morgon, Nelson Henrique; Riveros, José Manuel
Source: International Journal of Quantum Chemistry. Unidade: IQ
Subjects: ESTERIFICAÇÃO, HIDRÓLISE
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
FILETI, Eudes Eterno et al. Gas-phase acylium ion transfer reactions mediated by a proton shuttle mechanism. International Journal of Quantum Chemistry, v. 111, n. 7-8, p. 1596-1606, 2011Tradução . . Disponível em: https://doi.org/10.1002/qua.22746. Acesso em: 08 nov. 2024.
APA
Fileti, E. E., Oliveira, A. E. de, Morgon, N. H., & Riveros, J. M. (2011). Gas-phase acylium ion transfer reactions mediated by a proton shuttle mechanism. International Journal of Quantum Chemistry, 111( 7-8), 1596-1606. doi:10.1002/qua.22746
NLM
Fileti EE, Oliveira AE de, Morgon NH, Riveros JM. Gas-phase acylium ion transfer reactions mediated by a proton shuttle mechanism [Internet]. International Journal of Quantum Chemistry. 2011 ; 111( 7-8): 1596-1606.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.22746
Vancouver
Fileti EE, Oliveira AE de, Morgon NH, Riveros JM. Gas-phase acylium ion transfer reactions mediated by a proton shuttle mechanism [Internet]. International Journal of Quantum Chemistry. 2011 ; 111( 7-8): 1596-1606.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.22746
Artigo de periodico
Special issue: special issue dedicated to sylvio canuto (2011)
Coutinho, Kaline ; Cabral, Benedito J Costa; Custodio, Rogério
Source: International Journal of Quantum Chemistry. Unidade: IF
Assunto: FÍSICA (ESTUDO E ENSINO)
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
COUTINHO, Kaline e CABRAL, Benedito J Costa e CUSTODIO, Rogério. Special issue: special issue dedicated to sylvio canuto. International Journal of Quantum Chemistry, v. 111, n. 7-8, p. 1249-1250, 2011Tradução . . Disponível em: https://doi.org/10.1002/qua.22887. Acesso em: 08 nov. 2024.
APA
Coutinho, K., Cabral, B. J. C., & Custodio, R. (2011). Special issue: special issue dedicated to sylvio canuto. International Journal of Quantum Chemistry, 111( 7-8), 1249-1250. doi:10.1002/qua.22887
NLM
Coutinho K, Cabral BJC, Custodio R. Special issue: special issue dedicated to sylvio canuto [Internet]. International Journal of Quantum Chemistry. 2011 ;111( 7-8): 1249-1250.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.22887
Vancouver
Coutinho K, Cabral BJC, Custodio R. Special issue: special issue dedicated to sylvio canuto [Internet]. International Journal of Quantum Chemistry. 2011 ;111( 7-8): 1249-1250.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.22887
Artigo de periodico
Electronic Structure of the Ground and Low-Lying Electronic States of MoB and MoB+ (2011)
Borin, Antonio Carlos ; Gobbo, João Paulo
Source: International Journal of Quantum Chemistry. Unidade: IQ
Subjects: MOLIBDÊNIO, ESTRUTURA ELETRÔNICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
BORIN, Antonio Carlos e GOBBO, João Paulo. Electronic Structure of the Ground and Low-Lying Electronic States of MoB and MoB+. International Journal of Quantum Chemistry, v. 111, n. 13, p. 3362-3370, 2011Tradução . . Disponível em: https://doi.org/10.1002/qua.22963. Acesso em: 08 nov. 2024.
APA
Borin, A. C., & Gobbo, J. P. (2011). Electronic Structure of the Ground and Low-Lying Electronic States of MoB and MoB+. International Journal of Quantum Chemistry, 111( 13), 3362-3370. doi:10.1002/qua.22963
NLM
Borin AC, Gobbo JP. Electronic Structure of the Ground and Low-Lying Electronic States of MoB and MoB+ [Internet]. International Journal of Quantum Chemistry. 2011 ; 111( 13): 3362-3370.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.22963
Vancouver
Borin AC, Gobbo JP. Electronic Structure of the Ground and Low-Lying Electronic States of MoB and MoB+ [Internet]. International Journal of Quantum Chemistry. 2011 ; 111( 13): 3362-3370.[citado 2024 nov. 08 ] Available from: https://doi.org/10.1002/qua.22963

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