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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: 20 maio 2024.
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 2024 maio 20 ] 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 2024 maio 20 ] 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: 20 maio 2024.
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 2024 maio 20 ] 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 2024 maio 20 ] 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: 20 maio 2024.
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 2024 maio 20 ] 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 2024 maio 20 ] Available from: https://doi.org/10.1007/s00214-020-02670-4
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: 20 maio 2024.
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 2024 maio 20 ] 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 2024 maio 20 ] Available from: https://doi.org/10.1007/s00214-020-02643-7
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: 20 maio 2024.
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 2024 maio 20 ] 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 2024 maio 20 ] 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: 20 maio 2024.
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 2024 maio 20 ] 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 2024 maio 20 ] Available from: https://doi.org/10.1007/s00214-020-02592-1
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: 20 maio 2024.
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 2024 maio 20 ] 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 2024 maio 20 ] 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: 20 maio 2024.
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 2024 maio 20 ] 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 2024 maio 20 ] 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: 20 maio 2024.
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 2024 maio 20 ] 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 2024 maio 20 ] 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: 20 maio 2024.
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 2024 maio 20 ] 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 2024 maio 20 ] 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: 20 maio 2024.
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 2024 maio 20 ] 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 2024 maio 20 ] 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: 20 maio 2024.
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 2024 maio 20 ] 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 2024 maio 20 ] 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: 20 maio 2024.
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 2024 maio 20 ] 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 2024 maio 20 ] 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: 20 maio 2024.
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 2024 maio 20 ] 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 2024 maio 20 ] 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
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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: 20 maio 2024.
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 2024 maio 20 ] 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 2024 maio 20 ] 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
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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: 20 maio 2024.
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 2024 maio 20 ] 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 2024 maio 20 ] 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
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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: 20 maio 2024.
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 2024 maio 20 ] 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 2024 maio 20 ] 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: 20 maio 2024.
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 2024 maio 20 ] 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 2024 maio 20 ] Available from: https://doi.org/10.1007/s00214-015-1803-7
Artigo de periodico
Perimetric coordinate system in potential energy surfaces, spline interpolations, and the study of triatomic reaction dynamics (2014)
Aoto, Yuri Alexando; Ornellas, Fernando Rei
Source: Theoretical Chemistry Accounts. Unidade: IQ
Subjects: FÍSICO-QUÍMICA, ESPECTROSCOPIA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
AOTO, Yuri Alexando e ORNELLAS, Fernando Rei. Perimetric coordinate system in potential energy surfaces, spline interpolations, and the study of triatomic reaction dynamics. Theoretical Chemistry Accounts, v. 133, p. 1-16, 2014Tradução . . Disponível em: https://doi.org/10.1007/s00214-014-1547-9. Acesso em: 20 maio 2024.
APA
Aoto, Y. A., & Ornellas, F. R. (2014). Perimetric coordinate system in potential energy surfaces, spline interpolations, and the study of triatomic reaction dynamics. Theoretical Chemistry Accounts, 133, 1-16. doi:10.1007/s00214-014-1547-9
NLM
Aoto YA, Ornellas FR. Perimetric coordinate system in potential energy surfaces, spline interpolations, and the study of triatomic reaction dynamics [Internet]. Theoretical Chemistry Accounts. 2014 ; 133 1-16.[citado 2024 maio 20 ] Available from: https://doi.org/10.1007/s00214-014-1547-9
Vancouver
Aoto YA, Ornellas FR. Perimetric coordinate system in potential energy surfaces, spline interpolations, and the study of triatomic reaction dynamics [Internet]. Theoretical Chemistry Accounts. 2014 ; 133 1-16.[citado 2024 maio 20 ] Available from: https://doi.org/10.1007/s00214-014-1547-9
Artigo de periodico
Preface (2013)
Ornellas, Fernando Rei ; Ramos, Maria João
Source: Theoretical Chemistry Accounts. Unidade: IQ
Assunto: QUÍMICA TEÓRICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
ORNELLAS, Fernando Rei e RAMOS, Maria João. Preface. Theoretical Chemistry Accounts, v. 132, n. 3, p. 1-5 art. 1319, 2013Tradução . . Disponível em: https://doi.org/10.1007/s00214-012-1319-3. Acesso em: 20 maio 2024.
APA
Ornellas, F. R., & Ramos, M. J. (2013). Preface. Theoretical Chemistry Accounts, 132( 3), 1-5 art. 1319. doi:10.1007/s00214-012-1319-3
NLM
Ornellas FR, Ramos MJ. Preface [Internet]. Theoretical Chemistry Accounts. 2013 ; 132( 3): 1-5 art. 1319.[citado 2024 maio 20 ] Available from: https://doi.org/10.1007/s00214-012-1319-3
Vancouver
Ornellas FR, Ramos MJ. Preface [Internet]. Theoretical Chemistry Accounts. 2013 ; 132( 3): 1-5 art. 1319.[citado 2024 maio 20 ] Available from: https://doi.org/10.1007/s00214-012-1319-3

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