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Artigo de periodico
Computational investigation of the Lewis acid-catalyzed Diels–Alder reaction between carbon dioxide and furan (2025)
Nascimento, Joel Leitão ; Sampaio, Bruno S. ; Queiroz , Murillo H. ; Silva, Vitor Hugo Menezes da ; Alves, Tiago Vinicius ; Oliveira Filho, Antonio Gustavo Sampaio de
Source: Theoretical Chemistry Accounts. Unidade: IQSC
Subjects: QUÍMICA TEÓRICA, CATÁLISE, DIÓXIDO DE CARBONO
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ABNT
NASCIMENTO, Joel Leitão et al. Computational investigation of the Lewis acid-catalyzed Diels–Alder reaction between carbon dioxide and furan. Theoretical Chemistry Accounts, v. 144, p. art. 74 ( 1-7), 2025Tradução . . Disponível em: https://doi.org/10.1007/s00214-025-03230-4. Acesso em: 09 out. 2025.
APA
Nascimento, J. L., Sampaio, B. S., Queiroz , M. H., Silva, V. H. M. da, Alves, T. V., & Oliveira Filho, A. G. S. de. (2025). Computational investigation of the Lewis acid-catalyzed Diels–Alder reaction between carbon dioxide and furan. Theoretical Chemistry Accounts, 144, art. 74 ( 1-7). doi:10.1007/s00214-025-03230-4
NLM
Nascimento JL, Sampaio BS, Queiroz MH, Silva VHM da, Alves TV, Oliveira Filho AGS de. Computational investigation of the Lewis acid-catalyzed Diels–Alder reaction between carbon dioxide and furan [Internet]. Theoretical Chemistry Accounts. 2025 ; 144 art. 74 ( 1-7).[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-025-03230-4
Vancouver
Nascimento JL, Sampaio BS, Queiroz MH, Silva VHM da, Alves TV, Oliveira Filho AGS de. Computational investigation of the Lewis acid-catalyzed Diels–Alder reaction between carbon dioxide and furan [Internet]. Theoretical Chemistry Accounts. 2025 ; 144 art. 74 ( 1-7).[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-025-03230-4
Artigo de periodico
Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for francium through oganesson (2025)
Dias, Anne Kéllen de Nazaré dos Reis ; Sousa, Julielson dos Santos ; Gusmão, Eriosvaldo Florentino ; Haiduke, Roberto Luiz Andrade
Source: Theoretical Chemistry Accounts. Unidade: IQSC
Subjects: FRÂNCIO, QUÍMICA TEÓRICA
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ABNT
DIAS, Anne Kéllen de Nazaré dos Reis et al. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for francium through oganesson. Theoretical Chemistry Accounts, v. 144, 2025Tradução . . Disponível em: https://doi.org/10.1007/s00214-025-03180-x. Acesso em: 09 out. 2025.
APA
Dias, A. K. de N. dos R., Sousa, J. dos S., Gusmão, E. F., & Haiduke, R. L. A. (2025). Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for francium through oganesson. Theoretical Chemistry Accounts, 144. doi:10.1007/s00214-025-03180-x
NLM
Dias AK de N dos R, Sousa J dos S, Gusmão EF, Haiduke RLA. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for francium through oganesson [Internet]. Theoretical Chemistry Accounts. 2025 ;144[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-025-03180-x
Vancouver
Dias AK de N dos R, Sousa J dos S, Gusmão EF, Haiduke RLA. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for francium through oganesson [Internet]. Theoretical Chemistry Accounts. 2025 ;144[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-025-03180-x
Artigo de periodico
Ab initio calculation of the excited states of nitropyrenes (2021)
Chen, Qian; Siddique, Farhan; Silva, Gustavo Thalmer de Medeiros ; Lischka, Hans; Quina, Frank Herbert ; Aquino, Adelia J. A
Source: Theoretical Chemistry Accounts. Unidade: IQ
Subjects: HIDROCARBONETOS POLICÍCLICOS, FOTOQUÍMICA, MEIO AMBIENTE
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ABNT
CHEN, Qian et al. Ab initio calculation of the excited states of nitropyrenes. Theoretical Chemistry Accounts, v. 140, p. 1-8 art. 97, 2021Tradução . . Disponível em: https://doi.org/10.1007/s00214-021-02791-4. Acesso em: 09 out. 2025.
APA
Chen, Q., Siddique, F., Silva, G. T. de M., Lischka, H., Quina, F. H., & Aquino, A. J. A. (2021). Ab initio calculation of the excited states of nitropyrenes. Theoretical Chemistry Accounts, 140, 1-8 art. 97. doi:10.1007/s00214-021-02791-4
NLM
Chen Q, Siddique F, Silva GT de M, Lischka H, Quina FH, Aquino AJA. Ab initio calculation of the excited states of nitropyrenes [Internet]. Theoretical Chemistry Accounts. 2021 ; 140 1-8 art. 97.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-021-02791-4
Vancouver
Chen Q, Siddique F, Silva GT de M, Lischka H, Quina FH, Aquino AJA. Ab initio calculation of the excited states of nitropyrenes [Internet]. Theoretical Chemistry Accounts. 2021 ; 140 1-8 art. 97.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-021-02791-4
Artigo de periodico
Quantum chemical investigation of the ground- and excited-state acidities of a dihydroxyfuranoflavylium cation (2021)
Cui, Jing; Siddique, Farhan; Nieman, Reed ; Silva, Gustavo Thalmer de Medeiros ; Quina, Frank Herbert ; Aquino, Adélia J A
Source: Theoretical Chemistry Accounts. Unidade: IQ
Subjects: QUÍMICA QUÂNTICA, PIGMENTOS VEGETAIS
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ABNT
CUI, Jing et al. Quantum chemical investigation of the ground- and excited-state acidities of a dihydroxyfuranoflavylium cation. Theoretical Chemistry Accounts, v. 140, p. 1-6 art. 90, 2021Tradução . . Disponível em: https://doi.org/10.1007/s00214-021-02792-3. Acesso em: 09 out. 2025.
APA
Cui, J., Siddique, F., Nieman, R., Silva, G. T. de M., Quina, F. H., & Aquino, A. J. A. (2021). Quantum chemical investigation of the ground- and excited-state acidities of a dihydroxyfuranoflavylium cation. Theoretical Chemistry Accounts, 140, 1-6 art. 90. doi:10.1007/s00214-021-02792-3
NLM
Cui J, Siddique F, Nieman R, Silva GT de M, Quina FH, Aquino AJA. Quantum chemical investigation of the ground- and excited-state acidities of a dihydroxyfuranoflavylium cation [Internet]. Theoretical Chemistry Accounts. 2021 ; 140 1-6 art. 90.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-021-02792-3
Vancouver
Cui J, Siddique F, Nieman R, Silva GT de M, Quina FH, Aquino AJA. Quantum chemical investigation of the ground- and excited-state acidities of a dihydroxyfuranoflavylium cation [Internet]. Theoretical Chemistry Accounts. 2021 ; 140 1-6 art. 90.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-021-02792-3
Artigo de periodico
Theoretical analysis of the influence of C–H⋯ O bonds on the NMR constants of uracil in DMSO (2020)
Gester, Rodrigo; Carrano, Ramiro S. Galeano; Provasi, Patricio F; Bistafa, Carlos; Canuto, Sylvio Roberto Accioly
Source: Theoretical Chemistry Accounts. Unidade: IF
Assunto: RESSONÂNCIA MAGNÉTICA NUCLEAR
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ABNT
GESTER, Rodrigo et al. Theoretical analysis of the influence of C–H⋯ O bonds on the NMR constants of uracil in DMSO. Theoretical Chemistry Accounts, v. 139, 2020Tradução . . Disponível em: https://doi.org/10.1007/s00214-020-02670-4. Acesso em: 09 out. 2025.
APA
Gester, R., Carrano, R. S. G., Provasi, P. F., Bistafa, C., & Canuto, S. R. A. (2020). Theoretical analysis of the influence of C–H⋯ O bonds on the NMR constants of uracil in DMSO. Theoretical Chemistry Accounts, 139. doi:10.1007/s00214-020-02670-4
NLM
Gester R, Carrano RSG, Provasi PF, Bistafa C, Canuto SRA. Theoretical analysis of the influence of C–H⋯ O bonds on the NMR constants of uracil in DMSO [Internet]. Theoretical Chemistry Accounts. 2020 ; 139[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-020-02670-4
Vancouver
Gester R, Carrano RSG, Provasi PF, Bistafa C, Canuto SRA. Theoretical analysis of the influence of C–H⋯ O bonds on the NMR constants of uracil in DMSO [Internet]. Theoretical Chemistry Accounts. 2020 ; 139[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-020-02670-4
Artigo de periodico
A computational study of the ground and excited state acidities of synthetic analogs of red wine pyranoanthocyanins (2020)
Wang, Jing; Siddique, Farhan; Freitas, Adilson A; Silva, Cassio Pacheco da; Silva, Gustavo Thalmer de Medeiros; Quina, Frank Herbert ; Lischka, Hans; Aquino, Adélia J A
Source: Theoretical Chemistry Accounts. Unidade: IQ
Subjects: VINHO, ACIDEZ DO SOLO
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ABNT
WANG, Jing et al. A computational study of the ground and excited state acidities of synthetic analogs of red wine pyranoanthocyanins. Theoretical Chemistry Accounts, v. 139, p. 1-11 art. 117, 2020Tradução . . Disponível em: https://doi.org/10.1007/s00214-020-02633-9. Acesso em: 09 out. 2025.
APA
Wang, J., Siddique, F., Freitas, A. A., Silva, C. P. da, Silva, G. T. de M., Quina, F. H., et al. (2020). A computational study of the ground and excited state acidities of synthetic analogs of red wine pyranoanthocyanins. Theoretical Chemistry Accounts, 139, 1-11 art. 117. doi:10.1007/s00214-020-02633-9
NLM
Wang J, Siddique F, Freitas AA, Silva CP da, Silva GT de M, Quina FH, Lischka H, Aquino AJA. A computational study of the ground and excited state acidities of synthetic analogs of red wine pyranoanthocyanins [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-11 art. 117.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-020-02633-9
Vancouver
Wang J, Siddique F, Freitas AA, Silva CP da, Silva GT de M, Quina FH, Lischka H, Aquino AJA. A computational study of the ground and excited state acidities of synthetic analogs of red wine pyranoanthocyanins [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-11 art. 117.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-020-02633-9
Artigo de periodico
Theoretical O–CH3 bond dissociation enthalpies of selected aromatic and non-aromatic molecules (2020)
Du, Tianshu; Quina, Frank Herbert ; Tunega, Daniel; Zhang, Jianyu; Aquino, Adelia J. A
Source: Theoretical Chemistry Accounts. Unidade: IQ
Subjects: METILAÇÃO, TERMOQUÍMICA
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ABNT
DU, Tianshu et al. Theoretical O–CH3 bond dissociation enthalpies of selected aromatic and non-aromatic molecules. Theoretical Chemistry Accounts, v. 139, p. 1-8 art. 75, 2020Tradução . . Disponível em: https://doi.org/10.1007/s00214-020-02592-1. Acesso em: 09 out. 2025.
APA
Du, T., Quina, F. H., Tunega, D., Zhang, J., & Aquino, A. J. A. (2020). Theoretical O–CH3 bond dissociation enthalpies of selected aromatic and non-aromatic molecules. Theoretical Chemistry Accounts, 139, 1-8 art. 75. doi:10.1007/s00214-020-02592-1
NLM
Du T, Quina FH, Tunega D, Zhang J, Aquino AJA. Theoretical O–CH3 bond dissociation enthalpies of selected aromatic and non-aromatic molecules [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-8 art. 75.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-020-02592-1
Vancouver
Du T, Quina FH, Tunega D, Zhang J, Aquino AJA. Theoretical O–CH3 bond dissociation enthalpies of selected aromatic and non-aromatic molecules [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-8 art. 75.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-020-02592-1
Artigo de periodico
Analyzing the N–H+…π interactions of protonated tryptophan and phenylalkylamines using QTAIM, NCI, and NBO (2020)
Oliveira, Andre F. Rodrigues ; Batista, Patrick Rodrigues ; Ducati, Lucas Colucci ; Correra, Thiago Carita
Source: Theoretical Chemistry Accounts. Unidade: IQ
Subjects: INTERAÇÃO QUÍMICA, MOLÉCULA
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ABNT
OLIVEIRA, Andre F. Rodrigues et al. Analyzing the N–H+…π interactions of protonated tryptophan and phenylalkylamines using QTAIM, NCI, and NBO. Theoretical Chemistry Accounts, v. 139, p. 1-9 art. 130, 2020Tradução . . Disponível em: https://doi.org/10.1007/s00214-020-02643-7. Acesso em: 09 out. 2025.
APA
Oliveira, A. F. R., Batista, P. R., Ducati, L. C., & Correra, T. C. (2020). Analyzing the N–H+…π interactions of protonated tryptophan and phenylalkylamines using QTAIM, NCI, and NBO. Theoretical Chemistry Accounts, 139, 1-9 art. 130. doi:10.1007/s00214-020-02643-7
NLM
Oliveira AFR, Batista PR, Ducati LC, Correra TC. Analyzing the N–H+…π interactions of protonated tryptophan and phenylalkylamines using QTAIM, NCI, and NBO [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-9 art. 130.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-020-02643-7
Vancouver
Oliveira AFR, Batista PR, Ducati LC, Correra TC. Analyzing the N–H+…π interactions of protonated tryptophan and phenylalkylamines using QTAIM, NCI, and NBO [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-9 art. 130.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-020-02643-7
Artigo de periodico
An electronic point of view on the inhibition of ALK‑5 by bioactive candidates related to cancer (2020)
Almeida, Michell de Oliveira ; Faria, Sérgio H. D. M ; Honório, Káthia Maria
Source: Theoretical Chemistry Accounts. Unidades: EACH, IQSC
Subjects: MECÂNICA QUÂNTICA, NEOPLASIAS MAMÁRIAS, INIBIÇÃO
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ABNT
ALMEIDA, Michell de Oliveira e FARIA, Sérgio H. D. M e HONÓRIO, Káthia Maria. An electronic point of view on the inhibition of ALK‑5 by bioactive candidates related to cancer. Theoretical Chemistry Accounts, v. 139, n. 91, p. 1-16 on line 06 May 2020, 2020Tradução . . Disponível em: https://doi.org/10.1007/s00214-020-02602-2. Acesso em: 09 out. 2025.
APA
Almeida, M. de O., Faria, S. H. D. M., & Honório, K. M. (2020). An electronic point of view on the inhibition of ALK‑5 by bioactive candidates related to cancer. Theoretical Chemistry Accounts, 139( 91), 1-16 on line 06 May 2020. doi:10.1007/s00214-020-02602-2
NLM
Almeida M de O, Faria SHDM, Honório KM. An electronic point of view on the inhibition of ALK‑5 by bioactive candidates related to cancer [Internet]. Theoretical Chemistry Accounts. 2020 ; 139( 91): 1-16 on line 06 May 2020.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-020-02602-2
Vancouver
Almeida M de O, Faria SHDM, Honório KM. An electronic point of view on the inhibition of ALK‑5 by bioactive candidates related to cancer [Internet]. Theoretical Chemistry Accounts. 2020 ; 139( 91): 1-16 on line 06 May 2020.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-020-02602-2
Artigo de periodico
Accurate atomic electron afnities calculated by using anionic Gaussian basis sets (2020)
Amaral, Rafael Costa; Tello, Ana Cristina Mora; Colmar Junior, Moacyr; Silva, Alberico Borges Ferreira da
Source: Theoretical Chemistry Accounts. Unidade: IQSC
Subjects: QUÍMICA TEÓRICA, ELÉTRONS
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ABNT
AMARAL, Rafael Costa et al. Accurate atomic electron afnities calculated by using anionic Gaussian basis sets. Theoretical Chemistry Accounts, v. 139, p. 128, 2020Tradução . . Disponível em: https://doi.org/10.1007/s00214-020-02629-5. Acesso em: 09 out. 2025.
APA
Amaral, R. C., Tello, A. C. M., Colmar Junior, M., & Silva, A. B. F. da. (2020). Accurate atomic electron afnities calculated by using anionic Gaussian basis sets. Theoretical Chemistry Accounts, 139, 128. doi:10.1007/s00214-020-02629-5
NLM
Amaral RC, Tello ACM, Colmar Junior M, Silva ABF da. Accurate atomic electron afnities calculated by using anionic Gaussian basis sets [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 128.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-020-02629-5
Vancouver
Amaral RC, Tello ACM, Colmar Junior M, Silva ABF da. Accurate atomic electron afnities calculated by using anionic Gaussian basis sets [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 128.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-020-02629-5
Artigo de periodico
Radiative association of P and Cl atoms (2020)
Andreazza, Carmen Maria; Almeida, Amaury Augusto de ; Costa, Gustavo Juliani; Borin, Antonio Carlos
Source: Theoretical Chemistry Accounts. Unidades: IAG, IQ
Subjects: ÁTOMOS, FÓSFORO
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ABNT
ANDREAZZA, Carmen Maria et al. Radiative association of P and Cl atoms. Theoretical Chemistry Accounts, v. 139, p. 1-6 art. 97, 2020Tradução . . Disponível em: https://doi.org/10.1007/s00214-020-02606-y. Acesso em: 09 out. 2025.
APA
Andreazza, C. M., Almeida, A. A. de, Costa, G. J., & Borin, A. C. (2020). Radiative association of P and Cl atoms. Theoretical Chemistry Accounts, 139, 1-6 art. 97. doi:10.1007/s00214-020-02606-y
NLM
Andreazza CM, Almeida AA de, Costa GJ, Borin AC. Radiative association of P and Cl atoms [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-6 art. 97.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-020-02606-y
Vancouver
Andreazza CM, Almeida AA de, Costa GJ, Borin AC. Radiative association of P and Cl atoms [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-6 art. 97.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-020-02606-y
Artigo de periodico
Probing N-heterocyclic olefin as ancillary ligand in scandium-mediated CO2 to CO conversion (2020)
Batista, Ana Paula de Lima ; Oliveira Filho, Antonio Gustavo Sampaio de
Source: Theoretical Chemistry Accounts. Unidades: FFCLRP, IQ
Subjects: LIGANTES, ESCÂNDIO, COMPOSTOS HETEROCÍCLICOS
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ABNT
BATISTA, Ana Paula de Lima e OLIVEIRA FILHO, Antonio Gustavo Sampaio de. Probing N-heterocyclic olefin as ancillary ligand in scandium-mediated CO2 to CO conversion. Theoretical Chemistry Accounts, v. 139, p. 1-8 art. 42, 2020Tradução . . Disponível em: https://doi.org/10.1007/s00214-019-2528-9. Acesso em: 09 out. 2025.
APA
Batista, A. P. de L., & Oliveira Filho, A. G. S. de. (2020). Probing N-heterocyclic olefin as ancillary ligand in scandium-mediated CO2 to CO conversion. Theoretical Chemistry Accounts, 139, 1-8 art. 42. doi:10.1007/s00214-019-2528-9
NLM
Batista AP de L, Oliveira Filho AGS de. Probing N-heterocyclic olefin as ancillary ligand in scandium-mediated CO2 to CO conversion [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-8 art. 42.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-019-2528-9
Vancouver
Batista AP de L, Oliveira Filho AGS de. Probing N-heterocyclic olefin as ancillary ligand in scandium-mediated CO2 to CO conversion [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-8 art. 42.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-019-2528-9
Artigo de periodico
Preface (2020)
Machado, Francisco Bolivar Correto ; Aquino, Adelia J. A ; Oliveira Filho, Antonio Gustavo Sampaio de
Source: Theoretical Chemistry Accounts. Unidade: FFCLRP
Subjects: PERIÓDICOS CIENTÍFICOS, QUÍMICA
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ABNT
MACHADO, Francisco Bolivar Correto e AQUINO, Adelia J. A e OLIVEIRA FILHO, Antonio Gustavo Sampaio de. Preface. Theoretical Chemistry Accounts, v. 139, 2020Tradução . . Disponível em: https://doi.org/10.1007/s00214-020-2579-y. Acesso em: 09 out. 2025.
APA
Machado, F. B. C., Aquino, A. J. A., & Oliveira Filho, A. G. S. de. (2020). Preface. Theoretical Chemistry Accounts, 139. doi:10.1007/s00214-020-2579-y
NLM
Machado FBC, Aquino AJA, Oliveira Filho AGS de. Preface [Internet]. Theoretical Chemistry Accounts. 2020 ; 139[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-020-2579-y
Vancouver
Machado FBC, Aquino AJA, Oliveira Filho AGS de. Preface [Internet]. Theoretical Chemistry Accounts. 2020 ; 139[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-020-2579-y
Artigo de periodico
Formation of PS through radiative association (2020)
Almeida, Amaury Augusto de; Andreazza, Carmen M; Borin, Antonio Carlos
Source: Theoretical Chemistry Accounts. Unidades: IAG, IQ
Subjects: QUÍMICA QUÂNTICA, FÓSFORO, ENXOFRE
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ABNT
ALMEIDA, Amaury Augusto de e ANDREAZZA, Carmen M e BORIN, Antonio Carlos. Formation of PS through radiative association. Theoretical Chemistry Accounts, v. 139, p. 1-6 art. 33, 2020Tradução . . Disponível em: https://doi.org/10.1007/s00214-020-2545-8. Acesso em: 09 out. 2025.
APA
Almeida, A. A. de, Andreazza, C. M., & Borin, A. C. (2020). Formation of PS through radiative association. Theoretical Chemistry Accounts, 139, 1-6 art. 33. doi:10.1007/s00214-020-2545-8
NLM
Almeida AA de, Andreazza CM, Borin AC. Formation of PS through radiative association [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-6 art. 33.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-020-2545-8
Vancouver
Almeida AA de, Andreazza CM, Borin AC. Formation of PS through radiative association [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-6 art. 33.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-020-2545-8
Artigo de periodico
Determination of molecular properties for moscovium halides (McF and McCl) (2020)
Santiago, Regis Tadeu ; Haiduke, Roberto Luiz Andrade
Source: Theoretical Chemistry Accounts. Unidade: IQSC
Subjects: QUÍMICA QUÂNTICA, ESPECTROSCOPIA
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ABNT
SANTIAGO, Regis Tadeu e HAIDUKE, Roberto Luiz Andrade. Determination of molecular properties for moscovium halides (McF and McCl). Theoretical Chemistry Accounts, v. 139, p. 1-4, 2020Tradução . . Disponível em: https://doi.org/10.1007/s00214-020-2573-4. Acesso em: 09 out. 2025.
APA
Santiago, R. T., & Haiduke, R. L. A. (2020). Determination of molecular properties for moscovium halides (McF and McCl). Theoretical Chemistry Accounts, 139, 1-4. doi:10.1007/s00214-020-2573-4
NLM
Santiago RT, Haiduke RLA. Determination of molecular properties for moscovium halides (McF and McCl) [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-4.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-020-2573-4
Vancouver
Santiago RT, Haiduke RLA. Determination of molecular properties for moscovium halides (McF and McCl) [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-4.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-020-2573-4
Artigo de periodico
Heck arylation of acyclic olefins employing arenediazonium salts and chiral N,N ligands: new mechanistic insights from quantum-chemical calculations (2020)
Silva, Vitor Hugo Menezes da ; Oliveira, Caio C ; Correia, Carlos Roque Duarte ; Braga, Ataualpa Albert Carmo
Source: Theoretical Chemistry Accounts. Unidade: IQ
Subjects: CATÁLISE, LIGANTES
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ABNT
SILVA, Vitor Hugo Menezes da et al. Heck arylation of acyclic olefins employing arenediazonium salts and chiral N,N ligands: new mechanistic insights from quantum-chemical calculations. Theoretical Chemistry Accounts, v. 139, p. 1-13 art. 77, 2020Tradução . . Disponível em: https://doi.org/10.1007/s00214-020-02588-x. Acesso em: 09 out. 2025.
APA
Silva, V. H. M. da, Oliveira, C. C., Correia, C. R. D., & Braga, A. A. C. (2020). Heck arylation of acyclic olefins employing arenediazonium salts and chiral N,N ligands: new mechanistic insights from quantum-chemical calculations. Theoretical Chemistry Accounts, 139, 1-13 art. 77. doi:10.1007/s00214-020-02588-x
NLM
Silva VHM da, Oliveira CC, Correia CRD, Braga AAC. Heck arylation of acyclic olefins employing arenediazonium salts and chiral N,N ligands: new mechanistic insights from quantum-chemical calculations [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-13 art. 77.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-020-02588-x
Vancouver
Silva VHM da, Oliveira CC, Correia CRD, Braga AAC. Heck arylation of acyclic olefins employing arenediazonium salts and chiral N,N ligands: new mechanistic insights from quantum-chemical calculations [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-13 art. 77.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-020-02588-x
Artigo de periodico
Quantum mechanics meets scaling theory near the critical point (2020)
Bistafa, Carlos; Ramos, Tárcius N. ; Coutinho, Kaline Rabelo ; Canuto, Sylvio
Source: Theoretical Chemistry Accounts. Unidade: IF
Assunto: MECÂNICA QUÂNTICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
BISTAFA, Carlos et al. Quantum mechanics meets scaling theory near the critical point. Theoretical Chemistry Accounts, v. 139, 2020Tradução . . Disponível em: https://doi.org/10.1007/s00214-020-02596-x. Acesso em: 09 out. 2025.
APA
Bistafa, C., Ramos, T. N., Coutinho, K. R., & Canuto, S. (2020). Quantum mechanics meets scaling theory near the critical point. Theoretical Chemistry Accounts, 139. doi:10.1007/s00214-020-02596-x
NLM
Bistafa C, Ramos TN, Coutinho KR, Canuto S. Quantum mechanics meets scaling theory near the critical point [Internet]. Theoretical Chemistry Accounts. 2020 ; 139[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-020-02596-x
Vancouver
Bistafa C, Ramos TN, Coutinho KR, Canuto S. Quantum mechanics meets scaling theory near the critical point [Internet]. Theoretical Chemistry Accounts. 2020 ; 139[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-020-02596-x
Artigo de periodico
A theoretical study of the low-lying excited states and the photophysics of dimethoxy curcumin in cyclohexane and acetonitrile (2017)
Ramos, Tárcius Nascimento; Canuto, Sylvio
Source: Theoretical Chemistry Accounts. Unidade: IF
Subjects: FÍSICO-QUÍMICA, SOLVENTE, ESPECTROSCOPIA MOLECULAR
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
RAMOS, Tárcius Nascimento e CANUTO, Sylvio. A theoretical study of the low-lying excited states and the photophysics of dimethoxy curcumin in cyclohexane and acetonitrile. Theoretical Chemistry Accounts, v. 136, n. 78, p. 1-9, 2017Tradução . . Disponível em: https://doi.org/10.1007/s00214-017-2108-9.pdf. Acesso em: 09 out. 2025.
APA
Ramos, T. N., & Canuto, S. (2017). A theoretical study of the low-lying excited states and the photophysics of dimethoxy curcumin in cyclohexane and acetonitrile. Theoretical Chemistry Accounts, 136( 78), 1-9. doi:10.1007/s00214-017-2108-9.pdf
NLM
Ramos TN, Canuto S. A theoretical study of the low-lying excited states and the photophysics of dimethoxy curcumin in cyclohexane and acetonitrile [Internet]. Theoretical Chemistry Accounts. 2017 ; 136( 78): 1-9.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-017-2108-9.pdf
Vancouver
Ramos TN, Canuto S. A theoretical study of the low-lying excited states and the photophysics of dimethoxy curcumin in cyclohexane and acetonitrile [Internet]. Theoretical Chemistry Accounts. 2017 ; 136( 78): 1-9.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-017-2108-9.pdf
Artigo de periodico
DFT exploration of mechanistic pathways of an aza‑Morita–Baylis–Hillman reaction (2016)
Batista, Ana Paula de Lima; Coelho, Fernando; Braga, Ataualpa Albert Carmo
Source: Theoretical Chemistry Accounts. Unidade: IQ
Subjects: SÍNTESE ORGÂNICA, CATÁLISE
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
BATISTA, Ana Paula de Lima e COELHO, Fernando e BRAGA, Ataualpa Albert Carmo. DFT exploration of mechanistic pathways of an aza‑Morita–Baylis–Hillman reaction. Theoretical Chemistry Accounts, v. 135, p. 1-8 art. 186, 2016Tradução . . Disponível em: https://doi.org/10.1007/s00214-016-1946-1. Acesso em: 09 out. 2025.
APA
Batista, A. P. de L., Coelho, F., & Braga, A. A. C. (2016). DFT exploration of mechanistic pathways of an aza‑Morita–Baylis–Hillman reaction. Theoretical Chemistry Accounts, 135, 1-8 art. 186. doi:10.1007/s00214-016-1946-1
NLM
Batista AP de L, Coelho F, Braga AAC. DFT exploration of mechanistic pathways of an aza‑Morita–Baylis–Hillman reaction [Internet]. Theoretical Chemistry Accounts. 2016 ; 135 1-8 art. 186.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-016-1946-1
Vancouver
Batista AP de L, Coelho F, Braga AAC. DFT exploration of mechanistic pathways of an aza‑Morita–Baylis–Hillman reaction [Internet]. Theoretical Chemistry Accounts. 2016 ; 135 1-8 art. 186.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-016-1946-1
Artigo de periodico
Difluorodiazirine (CF2N2): a quantum mechanical study of the electron density and of the electrostatic potential in the ground and excited electronic states (2016)
Terrabuio, Luiz Alberto; Haiduke, Roberto Luiz Andrade ; Matta, Chérif F
Source: Theoretical Chemistry Accounts. Unidade: IQSC
Assunto: QUÍMICA TEÓRICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
TERRABUIO, Luiz Alberto e HAIDUKE, Roberto Luiz Andrade e MATTA, Chérif F. Difluorodiazirine (CF2N2): a quantum mechanical study of the electron density and of the electrostatic potential in the ground and excited electronic states. Theoretical Chemistry Accounts, v. 135, p. xx-xx, 2016Tradução . . Disponível em: https://doi.org/10.1007/s00214-015-1803-7. Acesso em: 09 out. 2025.
APA
Terrabuio, L. A., Haiduke, R. L. A., & Matta, C. F. (2016). Difluorodiazirine (CF2N2): a quantum mechanical study of the electron density and of the electrostatic potential in the ground and excited electronic states. Theoretical Chemistry Accounts, 135, xx-xx. doi:10.1007/s00214-015-1803-7
NLM
Terrabuio LA, Haiduke RLA, Matta CF. Difluorodiazirine (CF2N2): a quantum mechanical study of the electron density and of the electrostatic potential in the ground and excited electronic states [Internet]. Theoretical Chemistry Accounts. 2016 ; 135 xx-xx.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-015-1803-7
Vancouver
Terrabuio LA, Haiduke RLA, Matta CF. Difluorodiazirine (CF2N2): a quantum mechanical study of the electron density and of the electrostatic potential in the ground and excited electronic states [Internet]. Theoretical Chemistry Accounts. 2016 ; 135 xx-xx.[citado 2025 out. 09 ] Available from: https://doi.org/10.1007/s00214-015-1803-7

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