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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
Fonte: International Journal of Quantum Chemistry. Unidade: IQ
Assuntos: 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: 04 dez. 2025.
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 2025 dez. 04 ] 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 2025 dez. 04 ] Available from: https://doi.org/10.1002/qua.24191
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
Fonte: International Journal of Quantum Chemistry. Unidade: IQ
Assuntos: 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: 04 dez. 2025.
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 2025 dez. 04 ] 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 2025 dez. 04 ] Available from: https://doi.org/10.1002/qua.23030
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
Fonte: International Journal of Quantum Chemistry. Unidade: IQ
Assuntos: 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: 04 dez. 2025.
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 2025 dez. 04 ] 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 2025 dez. 04 ] 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
Fonte: International Journal of Quantum Chemistry. Unidade: IQ
Assuntos: 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: 04 dez. 2025.
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 2025 dez. 04 ] 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 2025 dez. 04 ] 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
Fonte: International Journal of Quantum Chemistry. Unidade: IQ
Assuntos: 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: 04 dez. 2025.
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 2025 dez. 04 ] 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 2025 dez. 04 ] 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
Fonte: International Journal of Quantum Chemistry. Unidade: IQ
Assuntos: ESTERIFICAÇÃO, HIDRÓLISE
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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: 04 dez. 2025.
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 2025 dez. 04 ] 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 2025 dez. 04 ] Available from: https://doi.org/10.1002/qua.22746
Artigo de periodico
Electronic Structure of the Ground and Low-Lying Electronic States of MoB and MoB+ (2011)
Borin, Antonio Carlos ; Gobbo, João Paulo
Fonte: International Journal of Quantum Chemistry. Unidade: IQ
Assuntos: MOLIBDÊNIO, ESTRUTURA ELETRÔNICA
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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: 04 dez. 2025.
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 2025 dez. 04 ] 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 2025 dez. 04 ] Available from: https://doi.org/10.1002/qua.22963
Artigo de periodico
Solvatochromic shift of the 'pi''seta''pi''POT. AST.' transition in all-trans, Cis-13, Cis-11, Cis-9, and Cis-7 retinal isomers induced by water and methanol (2010)
Lopez-Castillo, Alejandro; Borin, Antonio Carlos
Fonte: International Journal of Quantum Chemistry. Unidade: IQ
Assuntos: SOLVATAÇÃO, FÍSICO-QUÍMICA
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ABNT
LOPEZ-CASTILLO, Alejandro e BORIN, Antonio Carlos. Solvatochromic shift of the 'pi''seta''pi''POT. AST.' transition in all-trans, Cis-13, Cis-11, Cis-9, and Cis-7 retinal isomers induced by water and methanol. International Journal of Quantum Chemistry, v. 110, n. 11, p. 2076-2087, 2010Tradução . . Disponível em: https://doi.org/10.1002/qua.22622. Acesso em: 04 dez. 2025.
APA
Lopez-Castillo, A., & Borin, A. C. (2010). Solvatochromic shift of the 'pi''seta''pi''POT. AST.' transition in all-trans, Cis-13, Cis-11, Cis-9, and Cis-7 retinal isomers induced by water and methanol. International Journal of Quantum Chemistry, 110( 11), 2076-2087. doi:10.1002/qua.22622
NLM
Lopez-Castillo A, Borin AC. Solvatochromic shift of the 'pi''seta''pi''POT. AST.' transition in all-trans, Cis-13, Cis-11, Cis-9, and Cis-7 retinal isomers induced by water and methanol [Internet]. International Journal of Quantum Chemistry. 2010 ; 110( 11): 2076-2087.[citado 2025 dez. 04 ] Available from: https://doi.org/10.1002/qua.22622
Vancouver
Lopez-Castillo A, Borin AC. Solvatochromic shift of the 'pi''seta''pi''POT. AST.' transition in all-trans, Cis-13, Cis-11, Cis-9, and Cis-7 retinal isomers induced by water and methanol [Internet]. International Journal of Quantum Chemistry. 2010 ; 110( 11): 2076-2087.[citado 2025 dez. 04 ] Available from: https://doi.org/10.1002/qua.22622
Artigo de periodico
Theoretical electronic spectra of 2- Aminopurine in vapor and in water (2006)
Borin, Antonio Carlos ; Serrano-Andrés, Luis; Ludwig, Valdemir; Coutinho, Kaline Rabelo ; Canuto, Sylvio Roberto Accioly
Fonte: International Journal of Quantum Chemistry. Unidades: IQ, IF
Assuntos: QUÍMICA TEÓRICA, FÍSICO-QUÍMICA, QUÍMICA QUÂNTICA, MÉTODO DE MONTE CARLO
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ABNT
BORIN, Antonio Carlos et al. Theoretical electronic spectra of 2- Aminopurine in vapor and in water. International Journal of Quantum Chemistry, v. 106, n. 13, p. 2564-2577, 2006Tradução . . Disponível em: https://doi.org/10.1002/qua.20967. Acesso em: 04 dez. 2025.
APA
Borin, A. C., Serrano-Andrés, L., Ludwig, V., Coutinho, K. R., & Canuto, S. R. A. (2006). Theoretical electronic spectra of 2- Aminopurine in vapor and in water. International Journal of Quantum Chemistry, 106( 13), 2564-2577. doi:10.1002/qua.20967
NLM
Borin AC, Serrano-Andrés L, Ludwig V, Coutinho KR, Canuto SRA. Theoretical electronic spectra of 2- Aminopurine in vapor and in water [Internet]. International Journal of Quantum Chemistry. 2006 ; 106( 13): 2564-2577.[citado 2025 dez. 04 ] Available from: https://doi.org/10.1002/qua.20967
Vancouver
Borin AC, Serrano-Andrés L, Ludwig V, Coutinho KR, Canuto SRA. Theoretical electronic spectra of 2- Aminopurine in vapor and in water [Internet]. International Journal of Quantum Chemistry. 2006 ; 106( 13): 2564-2577.[citado 2025 dez. 04 ] Available from: https://doi.org/10.1002/qua.20967
Artigo de periodico
Electronic polarization of 1H-benzotriazole in water: ground and first excited-state dipole moments (2003)
Ludwig, Valdemir; Coutinho, Kaline Rabelo ; Borin, Antonio Carlos ; Canuto, Sylvio Roberto Accioly
Fonte: International Journal of Quantum Chemistry. Unidades: IF, IQ
Assuntos: MÉTODO DE MONTE CARLO, MECÂNICA QUÂNTICA
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ABNT
LUDWIG, Valdemir et al. Electronic polarization of 1H-benzotriazole in water: ground and first excited-state dipole moments. International Journal of Quantum Chemistry, v. 95, n. 4-5, p. 572-579, 2003Tradução . . Disponível em: https://doi.org/10.1002/qua.10688. Acesso em: 04 dez. 2025.
APA
Ludwig, V., Coutinho, K. R., Borin, A. C., & Canuto, S. R. A. (2003). Electronic polarization of 1H-benzotriazole in water: ground and first excited-state dipole moments. International Journal of Quantum Chemistry, 95( 4-5), 572-579. doi:10.1002/qua.10688
NLM
Ludwig V, Coutinho KR, Borin AC, Canuto SRA. Electronic polarization of 1H-benzotriazole in water: ground and first excited-state dipole moments [Internet]. International Journal of Quantum Chemistry. 2003 ; 95( 4-5): 572-579.[citado 2025 dez. 04 ] Available from: https://doi.org/10.1002/qua.10688
Vancouver
Ludwig V, Coutinho KR, Borin AC, Canuto SRA. Electronic polarization of 1H-benzotriazole in water: ground and first excited-state dipole moments [Internet]. International Journal of Quantum Chemistry. 2003 ; 95( 4-5): 572-579.[citado 2025 dez. 04 ] Available from: https://doi.org/10.1002/qua.10688
Artigo de periodico
Theoretical studies on the spectroscopy of the 7-azaindole monomer and dimer (2001)
Serrano-Andrés, Luis; Merchán, Manuela; Borin, Antonio Carlos ; Stalring, Jonna
Fonte: International Journal of Quantum Chemistry. Unidade: IQ
Assunto: FÍSICO-QUÍMICA
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ABNT
SERRANO-ANDRÉS, Luis et al. Theoretical studies on the spectroscopy of the 7-azaindole monomer and dimer. International Journal of Quantum Chemistry, v. 84, n. 2, p. 181-191, 2001Tradução . . Disponível em: https://doi.org/10.1002/qua.1320. Acesso em: 04 dez. 2025.
APA
Serrano-Andrés, L., Merchán, M., Borin, A. C., & Stalring, J. (2001). Theoretical studies on the spectroscopy of the 7-azaindole monomer and dimer. International Journal of Quantum Chemistry, 84( 2), 181-191. doi:10.1002/qua.1320
NLM
Serrano-Andrés L, Merchán M, Borin AC, Stalring J. Theoretical studies on the spectroscopy of the 7-azaindole monomer and dimer [Internet]. International Journal of Quantum Chemistry. 2001 ; 84( 2): 181-191.[citado 2025 dez. 04 ] Available from: https://doi.org/10.1002/qua.1320
Vancouver
Serrano-Andrés L, Merchán M, Borin AC, Stalring J. Theoretical studies on the spectroscopy of the 7-azaindole monomer and dimer [Internet]. International Journal of Quantum Chemistry. 2001 ; 84( 2): 181-191.[citado 2025 dez. 04 ] Available from: https://doi.org/10.1002/qua.1320
Artigo de periodico
Quantum mechanical investigation of the tautomerism in the azo dye Sudan III (2000)
Santos, Hélio F dos; Oliveira, Luiz F. C. de; Dantas, Sócrates O; Santos, Paulo Sérgio ; Almeida, Wagner B de
Fonte: International Journal of Quantum Chemistry. Unidade: IQ
Assuntos: FÍSICO-QUÍMICA, ESPECTROSCOPIA
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ABNT
SANTOS, Hélio F dos et al. Quantum mechanical investigation of the tautomerism in the azo dye Sudan III. International Journal of Quantum Chemistry, v. 80, n. 4-5, p. 1076-1086, 2000Tradução . . Disponível em: https://doi.org/10.1002/1097-461x(2000)80:4/5%3C1076::aid-qua57%3E3.0.co;2-r. Acesso em: 04 dez. 2025.
APA
Santos, H. F. dos, Oliveira, L. F. C. de, Dantas, S. O., Santos, P. S., & Almeida, W. B. de. (2000). Quantum mechanical investigation of the tautomerism in the azo dye Sudan III. International Journal of Quantum Chemistry, 80( 4-5), 1076-1086. doi:10.1002/1097-461x(2000)80:4/5%3C1076::aid-qua57%3E3.0.co;2-r
NLM
Santos HF dos, Oliveira LFC de, Dantas SO, Santos PS, Almeida WB de. Quantum mechanical investigation of the tautomerism in the azo dye Sudan III [Internet]. International Journal of Quantum Chemistry. 2000 ; 80( 4-5): 1076-1086.[citado 2025 dez. 04 ] Available from: https://doi.org/10.1002/1097-461x(2000)80:4/5%3C1076::aid-qua57%3E3.0.co;2-r
Vancouver
Santos HF dos, Oliveira LFC de, Dantas SO, Santos PS, Almeida WB de. Quantum mechanical investigation of the tautomerism in the azo dye Sudan III [Internet]. International Journal of Quantum Chemistry. 2000 ; 80( 4-5): 1076-1086.[citado 2025 dez. 04 ] Available from: https://doi.org/10.1002/1097-461x(2000)80:4/5%3C1076::aid-qua57%3E3.0.co;2-r

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