ReP USP - Resultado da busca

Artigo de periodico
Exploration of selenophene analogue and different acceptor influence on photovoltaic properties of pyrrole-4,6(5-H)-dione based chromophores via quantum chemical investigations (2025)
Khalid, Muhammad; Tayyab, Fatima; Adeel, Muhammad; Tahir, Nayab; Braga, Ataualpa Albert Carmo ; Alrashidi, Khalid Abdullah
Fonte: scientific reports. Unidade: IQ
Assuntos: ENGENHARIA, FULERENO, COMPOSTOS ORGÂNICOS, ORBITAL MOLECULAR
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
KHALID, Muhammad et al. Exploration of selenophene analogue and different acceptor influence on photovoltaic properties of pyrrole-4,6(5-H)-dione based chromophores via quantum chemical investigations. scientific reports, v. 15, p. 1-18 art. 14792, 2025Tradução . . Disponível em: https://dx.doi.org/10.1038/s41598-025-99585-6. Acesso em: 01 dez. 2025.
APA
Khalid, M., Tayyab, F., Adeel, M., Tahir, N., Braga, A. A. C., & Alrashidi, K. A. (2025). Exploration of selenophene analogue and different acceptor influence on photovoltaic properties of pyrrole-4,6(5-H)-dione based chromophores via quantum chemical investigations. scientific reports, 15, 1-18 art. 14792. doi:10.1038/s41598-025-99585-6
NLM
Khalid M, Tayyab F, Adeel M, Tahir N, Braga AAC, Alrashidi KA. Exploration of selenophene analogue and different acceptor influence on photovoltaic properties of pyrrole-4,6(5-H)-dione based chromophores via quantum chemical investigations [Internet]. scientific reports. 2025 ; 15 1-18 art. 14792.[citado 2025 dez. 01 ] Available from: https://dx.doi.org/10.1038/s41598-025-99585-6
Vancouver
Khalid M, Tayyab F, Adeel M, Tahir N, Braga AAC, Alrashidi KA. Exploration of selenophene analogue and different acceptor influence on photovoltaic properties of pyrrole-4,6(5-H)-dione based chromophores via quantum chemical investigations [Internet]. scientific reports. 2025 ; 15 1-18 art. 14792.[citado 2025 dez. 01 ] Available from: https://dx.doi.org/10.1038/s41598-025-99585-6
Artigo de periodico
Unveiling the influence of end-capped acceptors modification on photovoltaic properties of non-fullerene fused ring compounds: a DFT/TD-DFT study (2024)
Khalid, Muhammad ; Fatima, Noor; Arshad, Muhammad; Adeel, Muhammad; Braga, Ataualpa Albert Carmo ; Ahamad, Tansir
Fonte: RSC Advances. Unidade: IQ
Assuntos: CÉLULAS SOLARES, ORBITAL MOLECULAR
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
KHALID, Muhammad et al. Unveiling the influence of end-capped acceptors modification on photovoltaic properties of non-fullerene fused ring compounds: a DFT/TD-DFT study. RSC Advances, v. 14, p. 20441–20453, 2024Tradução . . Disponível em: https://dx.doi.org/10.1039/d4ra03170a. Acesso em: 01 dez. 2025.
APA
Khalid, M., Fatima, N., Arshad, M., Adeel, M., Braga, A. A. C., & Ahamad, T. (2024). Unveiling the influence of end-capped acceptors modification on photovoltaic properties of non-fullerene fused ring compounds: a DFT/TD-DFT study. RSC Advances, 14, 20441–20453. doi:10.1039/d4ra03170a
NLM
Khalid M, Fatima N, Arshad M, Adeel M, Braga AAC, Ahamad T. Unveiling the influence of end-capped acceptors modification on photovoltaic properties of non-fullerene fused ring compounds: a DFT/TD-DFT study [Internet]. RSC Advances. 2024 ; 14 20441–20453.[citado 2025 dez. 01 ] Available from: https://dx.doi.org/10.1039/d4ra03170a
Vancouver
Khalid M, Fatima N, Arshad M, Adeel M, Braga AAC, Ahamad T. Unveiling the influence of end-capped acceptors modification on photovoltaic properties of non-fullerene fused ring compounds: a DFT/TD-DFT study [Internet]. RSC Advances. 2024 ; 14 20441–20453.[citado 2025 dez. 01 ] Available from: https://dx.doi.org/10.1039/d4ra03170a
Artigo de periodico
Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies (2023)
Ahmed, Adnan; Adeel, Muhammad; Khan, Ilham; Khalid, Muhammad ; Raouf, Abdul; Aiman, Ume; Villinger, Alexander ; Braga, Ataualpa Albert Carmo ; Assiri, Mohammed A; Imran, Muhammad
Fonte: Journal of Molecular Structure. Unidade: IQ
Assuntos: ESPECTROSCOPIA, DIFRAÇÃO POR RAIOS X
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
AHMED, Adnan et al. Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies. Journal of Molecular Structure, v. 1273, p. 1-12 art. 134236, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2022.134236. Acesso em: 01 dez. 2025.
APA
Ahmed, A., Adeel, M., Khan, I., Khalid, M., Raouf, A., Aiman, U., et al. (2023). Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies. Journal of Molecular Structure, 1273, 1-12 art. 134236. doi:10.1016/j.molstruc.2022.134236
NLM
Ahmed A, Adeel M, Khan I, Khalid M, Raouf A, Aiman U, Villinger A, Braga AAC, Assiri MA, Imran M. Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies [Internet]. Journal of Molecular Structure. 2023 ; 1273 1-12 art. 134236.[citado 2025 dez. 01 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134236
Vancouver
Ahmed A, Adeel M, Khan I, Khalid M, Raouf A, Aiman U, Villinger A, Braga AAC, Assiri MA, Imran M. Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies [Internet]. Journal of Molecular Structure. 2023 ; 1273 1-12 art. 134236.[citado 2025 dez. 01 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134236
Artigo de periodico
Exploration of photovoltaic behavior of fused triphenylamine moiety as core donor with modified acceptors: star-shaped D-π-A conjugated systems (2023)
Khalid, Muhammad; Ishaque, Ume Habiba; Asghar, Muhammad Adnan; Adeel, Muhammad; Alam, Mohammed Mujahid ; Imran, Muhammad ; Baby, Rabia; Braga, Ataualpa Albert Carmo ; Rehman, Muhammad Fayyaz ur ; Akram, Muhammad Safwan
Fonte: Materials Chemistry and Physics. Unidade: IQ
Assuntos: CÉLULAS SOLARES, CRISE ENERGÉTICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
KHALID, Muhammad et al. Exploration of photovoltaic behavior of fused triphenylamine moiety as core donor with modified acceptors: star-shaped D-π-A conjugated systems. Materials Chemistry and Physics, v. 299, p. 1-13 art. 127528, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.matchemphys.2023.127528. Acesso em: 01 dez. 2025.
APA
Khalid, M., Ishaque, U. H., Asghar, M. A., Adeel, M., Alam, M. M., Imran, M., et al. (2023). Exploration of photovoltaic behavior of fused triphenylamine moiety as core donor with modified acceptors: star-shaped D-π-A conjugated systems. Materials Chemistry and Physics, 299, 1-13 art. 127528. doi:10.1016/j.matchemphys.2023.127528
NLM
Khalid M, Ishaque UH, Asghar MA, Adeel M, Alam MM, Imran M, Baby R, Braga AAC, Rehman MF ur, Akram MS. Exploration of photovoltaic behavior of fused triphenylamine moiety as core donor with modified acceptors: star-shaped D-π-A conjugated systems [Internet]. Materials Chemistry and Physics. 2023 ; 299 1-13 art. 127528.[citado 2025 dez. 01 ] Available from: https://doi.org/10.1016/j.matchemphys.2023.127528
Vancouver
Khalid M, Ishaque UH, Asghar MA, Adeel M, Alam MM, Imran M, Baby R, Braga AAC, Rehman MF ur, Akram MS. Exploration of photovoltaic behavior of fused triphenylamine moiety as core donor with modified acceptors: star-shaped D-π-A conjugated systems [Internet]. Materials Chemistry and Physics. 2023 ; 299 1-13 art. 127528.[citado 2025 dez. 01 ] Available from: https://doi.org/10.1016/j.matchemphys.2023.127528
Artigo de periodico
Efficient synthesis of nicotinaldehyde-based crystalline organic derivatives: Comparative analysis between experimental and DFT study (2023)
Hussain, Shahid; Adeel, Muhammad; Khalid, Muhammad ; Aiman, Ume; Villinger, Alexander ; Braga, Ataualpa Albert Carmo ; Alshehri, Saad M ; Asghar, Muhammad Adnan
Fonte: Journal of Molecular Structure. Unidade: IQ
Assunto: QUÍMICA QUÂNTICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
HUSSAIN, Shahid et al. Efficient synthesis of nicotinaldehyde-based crystalline organic derivatives: Comparative analysis between experimental and DFT study. Journal of Molecular Structure, v. 1290, p. 1-12 art. 135948, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.135948. Acesso em: 01 dez. 2025.
APA
Hussain, S., Adeel, M., Khalid, M., Aiman, U., Villinger, A., Braga, A. A. C., et al. (2023). Efficient synthesis of nicotinaldehyde-based crystalline organic derivatives: Comparative analysis between experimental and DFT study. Journal of Molecular Structure, 1290, 1-12 art. 135948. doi:10.1016/j.molstruc.2023.135948
NLM
Hussain S, Adeel M, Khalid M, Aiman U, Villinger A, Braga AAC, Alshehri SM, Asghar MA. Efficient synthesis of nicotinaldehyde-based crystalline organic derivatives: Comparative analysis between experimental and DFT study [Internet]. Journal of Molecular Structure. 2023 ; 1290 1-12 art. 135948.[citado 2025 dez. 01 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135948
Vancouver
Hussain S, Adeel M, Khalid M, Aiman U, Villinger A, Braga AAC, Alshehri SM, Asghar MA. Efficient synthesis of nicotinaldehyde-based crystalline organic derivatives: Comparative analysis between experimental and DFT study [Internet]. Journal of Molecular Structure. 2023 ; 1290 1-12 art. 135948.[citado 2025 dez. 01 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135948
Artigo de periodico
Exploration of the interesting photovoltaic behavior of the fused benzothiophene dioxide moiety as a core donor with modification in acceptors for high-efficacy organic solar cells (2022)
Khalid, Muhammad; Anwer, Wajeeha; Adeel, Muhammad; Shafiq, Zahid ; Braga, Ataualpa Albert Carmo ; Assiri, Mohammed; Imran, Muhammad ; Ullah, Aman
Fonte: RSC advances. Unidade: IQ
Assuntos: CÉLULAS SOLARES, COMPOSTOS ORGÂNICOS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
KHALID, Muhammad et al. Exploration of the interesting photovoltaic behavior of the fused benzothiophene dioxide moiety as a core donor with modification in acceptors for high-efficacy organic solar cells. RSC advances, v. 12, p. 29010–29021 art. 29010, 2022Tradução . . Disponível em: https://doi.org/10.1039/d2ra04473k. Acesso em: 01 dez. 2025.
APA
Khalid, M., Anwer, W., Adeel, M., Shafiq, Z., Braga, A. A. C., Assiri, M., et al. (2022). Exploration of the interesting photovoltaic behavior of the fused benzothiophene dioxide moiety as a core donor with modification in acceptors for high-efficacy organic solar cells. RSC advances, 12, 29010–29021 art. 29010. doi:10.1039/d2ra04473k
NLM
Khalid M, Anwer W, Adeel M, Shafiq Z, Braga AAC, Assiri M, Imran M, Ullah A. Exploration of the interesting photovoltaic behavior of the fused benzothiophene dioxide moiety as a core donor with modification in acceptors for high-efficacy organic solar cells [Internet]. RSC advances. 2022 ; 12 29010–29021 art. 29010.[citado 2025 dez. 01 ] Available from: https://doi.org/10.1039/d2ra04473k
Vancouver
Khalid M, Anwer W, Adeel M, Shafiq Z, Braga AAC, Assiri M, Imran M, Ullah A. Exploration of the interesting photovoltaic behavior of the fused benzothiophene dioxide moiety as a core donor with modification in acceptors for high-efficacy organic solar cells [Internet]. RSC advances. 2022 ; 12 29010–29021 art. 29010.[citado 2025 dez. 01 ] Available from: https://doi.org/10.1039/d2ra04473k
Artigo de periodico
Highly efficient one pot palladium-catalyzed synthesis of 3,5-bis (arylated) pyridines: Comparative experimental and DFT studies (2020)
Akram, Muhammad; Adeel, Muhammad; Khalid, Muhammad ; Tahir, Muhammad Nawaz; Aliabad, Hossein Asghar Rahnamaye; Ullah, Malik Aman; Iqbal, Javed; Braga, Ataualpa Albert Carmo
Fonte: Journal of Molecular Structure. Unidade: IQ
Assuntos: PALÁDIO, RESSONÂNCIA MAGNÉTICA NUCLEAR
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
AKRAM, Muhammad et al. Highly efficient one pot palladium-catalyzed synthesis of 3,5-bis (arylated) pyridines: Comparative experimental and DFT studies. Journal of Molecular Structure, v. 1213, p. 1-15 art. 128131, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2020.128131. Acesso em: 01 dez. 2025.
APA
Akram, M., Adeel, M., Khalid, M., Tahir, M. N., Aliabad, H. A. R., Ullah, M. A., et al. (2020). Highly efficient one pot palladium-catalyzed synthesis of 3,5-bis (arylated) pyridines: Comparative experimental and DFT studies. Journal of Molecular Structure, 1213, 1-15 art. 128131. doi:10.1016/j.molstruc.2020.128131
NLM
Akram M, Adeel M, Khalid M, Tahir MN, Aliabad HAR, Ullah MA, Iqbal J, Braga AAC. Highly efficient one pot palladium-catalyzed synthesis of 3,5-bis (arylated) pyridines: Comparative experimental and DFT studies [Internet]. Journal of Molecular Structure. 2020 ; 1213 1-15 art. 128131.[citado 2025 dez. 01 ] Available from: https://doi.org/10.1016/j.molstruc.2020.128131
Vancouver
Akram M, Adeel M, Khalid M, Tahir MN, Aliabad HAR, Ullah MA, Iqbal J, Braga AAC. Highly efficient one pot palladium-catalyzed synthesis of 3,5-bis (arylated) pyridines: Comparative experimental and DFT studies [Internet]. Journal of Molecular Structure. 2020 ; 1213 1-15 art. 128131.[citado 2025 dez. 01 ] Available from: https://doi.org/10.1016/j.molstruc.2020.128131
Artigo de periodico
Synthesis, crystal structure analysis, spectral IR, UV–Vis, NMR assessments, electronic and nonlinear optical properties of potent quinoline based derivatives: Interplay of experimental and DFT study (2019)
khalid, Muhammad; Ullah, Malik Aman; Adeel, Muhammad; Khan, Muhammad Usman; Tahir, Muhammad Nawaz; Braga, Ataualpa Albert Carmo
Fonte: Journal of Saudi Chemical Society. Unidade: IQ
Assuntos: SÍNTESE QUÍMICA, ÓPTICA NÃO LINEAR
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
KHALID, Muhammad et al. Synthesis, crystal structure analysis, spectral IR, UV–Vis, NMR assessments, electronic and nonlinear optical properties of potent quinoline based derivatives: Interplay of experimental and DFT study. Journal of Saudi Chemical Society, v. 23, n. 5, p. 546-560, 2019Tradução . . Disponível em: https://doi.org/10.1016/j.jscs.2018.09.006. Acesso em: 01 dez. 2025.
APA
khalid, M., Ullah, M. A., Adeel, M., Khan, M. U., Tahir, M. N., & Braga, A. A. C. (2019). Synthesis, crystal structure analysis, spectral IR, UV–Vis, NMR assessments, electronic and nonlinear optical properties of potent quinoline based derivatives: Interplay of experimental and DFT study. Journal of Saudi Chemical Society, 23( 5), 546-560. doi:10.1016/j.jscs.2018.09.006
NLM
khalid M, Ullah MA, Adeel M, Khan MU, Tahir MN, Braga AAC. Synthesis, crystal structure analysis, spectral IR, UV–Vis, NMR assessments, electronic and nonlinear optical properties of potent quinoline based derivatives: Interplay of experimental and DFT study [Internet]. Journal of Saudi Chemical Society. 2019 ; 23( 5): 546-560.[citado 2025 dez. 01 ] Available from: https://doi.org/10.1016/j.jscs.2018.09.006
Vancouver
khalid M, Ullah MA, Adeel M, Khan MU, Tahir MN, Braga AAC. Synthesis, crystal structure analysis, spectral IR, UV–Vis, NMR assessments, electronic and nonlinear optical properties of potent quinoline based derivatives: Interplay of experimental and DFT study [Internet]. Journal of Saudi Chemical Society. 2019 ; 23( 5): 546-560.[citado 2025 dez. 01 ] Available from: https://doi.org/10.1016/j.jscs.2018.09.006
Artigo de periodico
Synthesis, X-ray crystallographic, spectroscopic and computational studies of aminothiazole derivatives (2017)
Adeel, Muhammad; Braga, Ataualpa Albert Carmo ; Tahir, Muhammad Nawaz; Haq, Fazal; khalid, Muhammad; Halim, Mohammad A
Fonte: Journal of Molecular Structure. Unidade: IQ
Assuntos: ESPECTROSCOPIA RAMAN, COMPOSTOS ORGÂNICOS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
ADEEL, Muhammad et al. Synthesis, X-ray crystallographic, spectroscopic and computational studies of aminothiazole derivatives. Journal of Molecular Structure, v. 1131, p. 136-148, 2017Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2016.11.046. Acesso em: 01 dez. 2025.
APA
Adeel, M., Braga, A. A. C., Tahir, M. N., Haq, F., khalid, M., & Halim, M. A. (2017). Synthesis, X-ray crystallographic, spectroscopic and computational studies of aminothiazole derivatives. Journal of Molecular Structure, 1131, 136-148. doi:10.1016/j.molstruc.2016.11.046
NLM
Adeel M, Braga AAC, Tahir MN, Haq F, khalid M, Halim MA. Synthesis, X-ray crystallographic, spectroscopic and computational studies of aminothiazole derivatives [Internet]. Journal of Molecular Structure. 2017 ; 1131 136-148.[citado 2025 dez. 01 ] Available from: https://doi.org/10.1016/j.molstruc.2016.11.046
Vancouver
Adeel M, Braga AAC, Tahir MN, Haq F, khalid M, Halim MA. Synthesis, X-ray crystallographic, spectroscopic and computational studies of aminothiazole derivatives [Internet]. Journal of Molecular Structure. 2017 ; 1131 136-148.[citado 2025 dez. 01 ] Available from: https://doi.org/10.1016/j.molstruc.2016.11.046
Artigo de periodico
Intermolecular noncovalent hydroxy directed enantioselective heck desymmetrization of cyclopentenol: computationally driven synthesis of highly functionalized cis-4-Arylcyclopentenol Scaffolds (2016)
Silva, Juliana de Oliveira; Angnes, Ricardo A; Silva, Vitor Hugo Menezes da; Servilha, Bruno M; Adeel, Muhammad; Braga, Ataualpa Albert Carmo ; Aponick, Aaron; Correia, Carlos Roque Duarte
Fonte: Journal of Organic Chemistry. Unidade: IQ
Assuntos: SOLVENTE, CATÁLISE, REAÇÕES QUÍMICAS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SILVA, Juliana de Oliveira et al. Intermolecular noncovalent hydroxy directed enantioselective heck desymmetrization of cyclopentenol: computationally driven synthesis of highly functionalized cis-4-Arylcyclopentenol Scaffolds. Journal of Organic Chemistry, v. 81, n. 5, p. 2010-2018, 2016Tradução . . Disponível em: https://doi.org/10.1021/acs.joc.5b02846. Acesso em: 01 dez. 2025.
APA
Silva, J. de O., Angnes, R. A., Silva, V. H. M. da, Servilha, B. M., Adeel, M., Braga, A. A. C., et al. (2016). Intermolecular noncovalent hydroxy directed enantioselective heck desymmetrization of cyclopentenol: computationally driven synthesis of highly functionalized cis-4-Arylcyclopentenol Scaffolds. Journal of Organic Chemistry, 81( 5), 2010-2018. doi:10.1021/acs.joc.5b02846
NLM
Silva J de O, Angnes RA, Silva VHM da, Servilha BM, Adeel M, Braga AAC, Aponick A, Correia CRD. Intermolecular noncovalent hydroxy directed enantioselective heck desymmetrization of cyclopentenol: computationally driven synthesis of highly functionalized cis-4-Arylcyclopentenol Scaffolds [Internet]. Journal of Organic Chemistry. 2016 ; 81( 5): 2010-2018.[citado 2025 dez. 01 ] Available from: https://doi.org/10.1021/acs.joc.5b02846
Vancouver
Silva J de O, Angnes RA, Silva VHM da, Servilha BM, Adeel M, Braga AAC, Aponick A, Correia CRD. Intermolecular noncovalent hydroxy directed enantioselective heck desymmetrization of cyclopentenol: computationally driven synthesis of highly functionalized cis-4-Arylcyclopentenol Scaffolds [Internet]. Journal of Organic Chemistry. 2016 ; 81( 5): 2010-2018.[citado 2025 dez. 01 ] Available from: https://doi.org/10.1021/acs.joc.5b02846

Unidades USP

ReP

Filtros

Autores

Ano de publicação

Assuntos

Título da fonte

Agência de fomento

Afiliação dos autores externos não normalizada

País das instituições de afiliação dos autores externos