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Artigo de periodico
Unravelling the photovoltaic response of butterfly-shaped fulvene based chromophores with the influence of double acceptor moieties: a DFT approach (2025)
Khalid, Muhammad; Kousar, Shehla; Haq, Saadia; Braga, Ataualpa Albert Carmo ; Akram, Muhammad Yasir; Alotaibi, Rajeh
Source: Journal of Industrial and Engineering Chemistry. Unidade: IQ
Subjects: MOLÉCULA, ÓPTICA ELETRÔNICA
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ABNT
KHALID, Muhammad et al. Unravelling the photovoltaic response of butterfly-shaped fulvene based chromophores with the influence of double acceptor moieties: a DFT approach. Journal of Industrial and Engineering Chemistry, v. 142, p. 533-544, 2025Tradução . . Disponível em: https://dx.doi.org/10.1016/j.jiec.2024.07.059. Acesso em: 13 jun. 2025.
APA
Khalid, M., Kousar, S., Haq, S., Braga, A. A. C., Akram, M. Y., & Alotaibi, R. (2025). Unravelling the photovoltaic response of butterfly-shaped fulvene based chromophores with the influence of double acceptor moieties: a DFT approach. Journal of Industrial and Engineering Chemistry, 142, 533-544. doi:10.1016/j.jiec.2024.07.059
NLM
Khalid M, Kousar S, Haq S, Braga AAC, Akram MY, Alotaibi R. Unravelling the photovoltaic response of butterfly-shaped fulvene based chromophores with the influence of double acceptor moieties: a DFT approach [Internet]. Journal of Industrial and Engineering Chemistry. 2025 ; 142 533-544.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1016/j.jiec.2024.07.059
Vancouver
Khalid M, Kousar S, Haq S, Braga AAC, Akram MY, Alotaibi R. Unravelling the photovoltaic response of butterfly-shaped fulvene based chromophores with the influence of double acceptor moieties: a DFT approach [Internet]. Journal of Industrial and Engineering Chemistry. 2025 ; 142 533-544.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1016/j.jiec.2024.07.059
Artigo de periodico
A protocol for the investigation of the intramolecular vibrational energy redistribution problem: the isomerization of nitrous acid as a case of study (2025)
Duarte, Leonardo José ; Nunes, Cláudio M ; Fausto, Rui ; Braga, Ataualpa Albert Carmo
Source: Physical Chemistry Chemical Physics. Unidade: IQ
Subjects: FOTOQUÍMICA, INFRAVERMELHO
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ABNT
DUARTE, Leonardo José et al. A protocol for the investigation of the intramolecular vibrational energy redistribution problem: the isomerization of nitrous acid as a case of study. Physical Chemistry Chemical Physics, v. 27, n. 7, p. 3685-3700, 2025Tradução . . Disponível em: https://dx.doi.org/10.1039/D4CP04130E. Acesso em: 13 jun. 2025.
APA
Duarte, L. J., Nunes, C. M., Fausto, R., & Braga, A. A. C. (2025). A protocol for the investigation of the intramolecular vibrational energy redistribution problem: the isomerization of nitrous acid as a case of study. Physical Chemistry Chemical Physics, 27( 7), 3685-3700. doi:10.1039/D4CP04130E
NLM
Duarte LJ, Nunes CM, Fausto R, Braga AAC. A protocol for the investigation of the intramolecular vibrational energy redistribution problem: the isomerization of nitrous acid as a case of study [Internet]. Physical Chemistry Chemical Physics. 2025 ; 27( 7): 3685-3700.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1039/D4CP04130E
Vancouver
Duarte LJ, Nunes CM, Fausto R, Braga AAC. A protocol for the investigation of the intramolecular vibrational energy redistribution problem: the isomerization of nitrous acid as a case of study [Internet]. Physical Chemistry Chemical Physics. 2025 ; 27( 7): 3685-3700.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1039/D4CP04130E
Artigo de periodico
Exploring key electronic and non-linear optical amplitute with bilateral intramolecular charge transfer into thieno[3,2-b]thiophene-based compounds: a DFT approach (2025)
Khalid, Muhammad ; Arshad, Memoona; Haroon, Muhammad; Braga, Ataualpa Albert Carmo ; Alhokbany, Norah
Source: RSC Advances. Unidade: IQ
Subjects: MOLÉCULA, LIGANTES
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ABNT
KHALID, Muhammad et al. Exploring key electronic and non-linear optical amplitute with bilateral intramolecular charge transfer into thieno[3,2-b]thiophene-based compounds: a DFT approach. RSC Advances, v. 15, p. 6291–6307, 2025Tradução . . Disponível em: https://dx.doi.org/10.1039/d4ra08662g. Acesso em: 13 jun. 2025.
APA
Khalid, M., Arshad, M., Haroon, M., Braga, A. A. C., & Alhokbany, N. (2025). Exploring key electronic and non-linear optical amplitute with bilateral intramolecular charge transfer into thieno[3,2-b]thiophene-based compounds: a DFT approach. RSC Advances, 15, 6291–6307. doi:10.1039/d4ra08662g
NLM
Khalid M, Arshad M, Haroon M, Braga AAC, Alhokbany N. Exploring key electronic and non-linear optical amplitute with bilateral intramolecular charge transfer into thieno[3,2-b]thiophene-based compounds: a DFT approach [Internet]. RSC Advances. 2025 ; 15 6291–6307.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1039/d4ra08662g
Vancouver
Khalid M, Arshad M, Haroon M, Braga AAC, Alhokbany N. Exploring key electronic and non-linear optical amplitute with bilateral intramolecular charge transfer into thieno[3,2-b]thiophene-based compounds: a DFT approach [Internet]. RSC Advances. 2025 ; 15 6291–6307.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1039/d4ra08662g
Artigo de periodico
Design and evaluation of indacenothienothiophene based functional materials for second and third order nonlinear optics properties via DFT approach (2025)
Haq, Saadia; Khalid, Muhammad; Braga, Ataualpa Albert Carmo ; Alhokbany, Norah ; Chen, Ke
Source: scientific reports. Unidade: IQ
Subjects: ÓPTICA NÃO LINEAR, DENSIDADE
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ABNT
HAQ, Saadia et al. Design and evaluation of indacenothienothiophene based functional materials for second and third order nonlinear optics properties via DFT approach. scientific reports, v. 15, p. 1-18 art. 13262, 2025Tradução . . Disponível em: https://dx.doi.org/10.1038/s41598-025-96902-x. Acesso em: 13 jun. 2025.
APA
Haq, S., Khalid, M., Braga, A. A. C., Alhokbany, N., & Chen, K. (2025). Design and evaluation of indacenothienothiophene based functional materials for second and third order nonlinear optics properties via DFT approach. scientific reports, 15, 1-18 art. 13262. doi:10.1038/s41598-025-96902-x
NLM
Haq S, Khalid M, Braga AAC, Alhokbany N, Chen K. Design and evaluation of indacenothienothiophene based functional materials for second and third order nonlinear optics properties via DFT approach [Internet]. scientific reports. 2025 ; 15 1-18 art. 13262.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1038/s41598-025-96902-x
Vancouver
Haq S, Khalid M, Braga AAC, Alhokbany N, Chen K. Design and evaluation of indacenothienothiophene based functional materials for second and third order nonlinear optics properties via DFT approach [Internet]. scientific reports. 2025 ; 15 1-18 art. 13262.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1038/s41598-025-96902-x
Artigo de periodico
Unveiling electronic and remarkable non-linear optical properties of boron nitrogen carbazole-based compounds via modification of π-linker and donor units: a DFT study (2025)
Jamal, Sadia; Raza, Nadeem; Khalid, Muhammad ; Braga, Ataualpa Albert Carmo
Source: RSC Advances. Unidade: IQ
Subjects: LIGANTES, MATERIAIS ÓPTICOS, COMPOSTOS AROMÁTICOS
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ABNT
JAMAL, Sadia et al. Unveiling electronic and remarkable non-linear optical properties of boron nitrogen carbazole-based compounds via modification of π-linker and donor units: a DFT study. RSC Advances, v. 15, n. 11, p. 8262–8274, 2025Tradução . . Disponível em: https://dx.doi.org/https://doi.org/10.1039/D5RA00864F. Acesso em: 13 jun. 2025.
APA
Jamal, S., Raza, N., Khalid, M., & Braga, A. A. C. (2025). Unveiling electronic and remarkable non-linear optical properties of boron nitrogen carbazole-based compounds via modification of π-linker and donor units: a DFT study. RSC Advances, 15( 11), 8262–8274. doi:https://doi.org/10.1039/D5RA00864F
NLM
Jamal S, Raza N, Khalid M, Braga AAC. Unveiling electronic and remarkable non-linear optical properties of boron nitrogen carbazole-based compounds via modification of π-linker and donor units: a DFT study [Internet]. RSC Advances. 2025 ; 15( 11): 8262–8274.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/https://doi.org/10.1039/D5RA00864F
Vancouver
Jamal S, Raza N, Khalid M, Braga AAC. Unveiling electronic and remarkable non-linear optical properties of boron nitrogen carbazole-based compounds via modification of π-linker and donor units: a DFT study [Internet]. RSC Advances. 2025 ; 15( 11): 8262–8274.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/https://doi.org/10.1039/D5RA00864F
Artigo de periodico
Unveiling peripheral symmetric acceptors coupling with tetrathienylbenzene core to promote electron transfer dynamics in organic photovoltaics (2024)
khalid, Muhammad; Jabbar, Aiman; Murtaza, Shahzad; Arshad, Muhammad; Braga, Ataualpa Albert Carmo; Ahamad, Tansir
Source: Scientific Reports. Unidade: IQ
Subjects: COMPOSTOS ORGÂNICOS, CÉLULAS SOLARES
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ABNT
KHALID, Muhammad et al. Unveiling peripheral symmetric acceptors coupling with tetrathienylbenzene core to promote electron transfer dynamics in organic photovoltaics. Scientific Reports, v. 14, n. 1, p. 1-13 art. 21176, 2024Tradução . . Disponível em: https://dx.doi.org/10.1038/s41598-024-71777-6. Acesso em: 13 jun. 2025.
APA
khalid, M., Jabbar, A., Murtaza, S., Arshad, M., Braga, A. A. C., & Ahamad, T. (2024). Unveiling peripheral symmetric acceptors coupling with tetrathienylbenzene core to promote electron transfer dynamics in organic photovoltaics. Scientific Reports, 14( 1), 1-13 art. 21176. doi:10.1038/s41598-024-71777-6
NLM
khalid M, Jabbar A, Murtaza S, Arshad M, Braga AAC, Ahamad T. Unveiling peripheral symmetric acceptors coupling with tetrathienylbenzene core to promote electron transfer dynamics in organic photovoltaics [Internet]. Scientific Reports. 2024 ; 14( 1): 1-13 art. 21176.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1038/s41598-024-71777-6
Vancouver
khalid M, Jabbar A, Murtaza S, Arshad M, Braga AAC, Ahamad T. Unveiling peripheral symmetric acceptors coupling with tetrathienylbenzene core to promote electron transfer dynamics in organic photovoltaics [Internet]. Scientific Reports. 2024 ; 14( 1): 1-13 art. 21176.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1038/s41598-024-71777-6
Artigo de periodico
Exploration of the influence of end-capped structural modification on photovoltaic properties of selenopheno-thiophene core based non-fullerene chromophores: a DFT study (2024)
Sagir, Muhammad; Saqib, Muhammad ; Tahir, Muhammad Bilal; Hussain, Shabbir; Javed, Laiba; Shoukat, Uzma; khalid, Muhammad; Braga, Ataualpa Albert Carmo ; Ullah, Sami; Assiri, Mohammed Ali
Source: Synthetic Metals. Unidade: IQ
Subjects: CÉLULAS SOLARES, FULERENO
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ABNT
SAGIR, Muhammad et al. Exploration of the influence of end-capped structural modification on photovoltaic properties of selenopheno-thiophene core based non-fullerene chromophores: a DFT study. Synthetic Metals, v. 306, p. 1-13 art. 117620, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.synthmet.2024.117620. Acesso em: 13 jun. 2025.
APA
Sagir, M., Saqib, M., Tahir, M. B., Hussain, S., Javed, L., Shoukat, U., et al. (2024). Exploration of the influence of end-capped structural modification on photovoltaic properties of selenopheno-thiophene core based non-fullerene chromophores: a DFT study. Synthetic Metals, 306, 1-13 art. 117620. doi:10.1016/j.synthmet.2024.117620
NLM
Sagir M, Saqib M, Tahir MB, Hussain S, Javed L, Shoukat U, khalid M, Braga AAC, Ullah S, Assiri MA. Exploration of the influence of end-capped structural modification on photovoltaic properties of selenopheno-thiophene core based non-fullerene chromophores: a DFT study [Internet]. Synthetic Metals. 2024 ; 306 1-13 art. 117620.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1016/j.synthmet.2024.117620
Vancouver
Sagir M, Saqib M, Tahir MB, Hussain S, Javed L, Shoukat U, khalid M, Braga AAC, Ullah S, Assiri MA. Exploration of the influence of end-capped structural modification on photovoltaic properties of selenopheno-thiophene core based non-fullerene chromophores: a DFT study [Internet]. Synthetic Metals. 2024 ; 306 1-13 art. 117620.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1016/j.synthmet.2024.117620
Trabalho de evento-resumo
Computational study of asymmetric 6π-photoelectrocyclization via visible-light (2024)
Alves, Erick Henrique de Souza ; Braga, Ataualpa Albert Carmo ; Paz, Bruno Matos
Source: Proceedings. Conference titles: Brazilian Meeting on Inorganic Chemistry/BMIC. Unidade: IQ
Subjects: FOTOQUÍMICA, FOTOCATÁLISE
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ABNT
ALVES, Erick Henrique de Souza e BRAGA, Ataualpa Albert Carmo e PAZ, Bruno Matos. Computational study of asymmetric 6π-photoelectrocyclization via visible-light. 2024, Anais.. Belo Horizonte: Universidade Federal de Minas Gerais/UFMG, 2024. Disponível em: https://bmic2024.qui.ufmg.br/. Acesso em: 13 jun. 2025.
APA
Alves, E. H. de S., Braga, A. A. C., & Paz, B. M. (2024). Computational study of asymmetric 6π-photoelectrocyclization via visible-light. In Proceedings. Belo Horizonte: Universidade Federal de Minas Gerais/UFMG. Recuperado de https://bmic2024.qui.ufmg.br/
NLM
Alves EH de S, Braga AAC, Paz BM. Computational study of asymmetric 6π-photoelectrocyclization via visible-light [Internet]. Proceedings. 2024 ;[citado 2025 jun. 13 ] Available from: https://bmic2024.qui.ufmg.br/
Vancouver
Alves EH de S, Braga AAC, Paz BM. Computational study of asymmetric 6π-photoelectrocyclization via visible-light [Internet]. Proceedings. 2024 ;[citado 2025 jun. 13 ] Available from: https://bmic2024.qui.ufmg.br/
Trabalho de evento-resumo
Theoretical insights on the unexpected lability of Ru(III)(phtpy)Cl3: ligand-metal interactions through the lenses of DFT and TD-DFT (2024)
Randolli, Lucas Gonçalves; Mizumoto, Thiago Mineo ; Duarte, Leonardo José ; Araki, Koiti ; Braga, Ataualpa Albert Carmo
Source: Proceedings. Conference titles: Brazilian Meeting on Inorganic Chemistry/BMIC. Unidade: IQ
Subjects: RUTÊNIO, CATÁLISE
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ABNT
RANDOLLI, Lucas Gonçalves et al. Theoretical insights on the unexpected lability of Ru(III)(phtpy)Cl3: ligand-metal interactions through the lenses of DFT and TD-DFT. 2024, Anais.. Belo Horizonte: Universidade Federal de Minas Gerais/UFMG, 2024. Disponível em: https://bmic2024.qui.ufmg.br/. Acesso em: 13 jun. 2025.
APA
Randolli, L. G., Mizumoto, T. M., Duarte, L. J., Araki, K., & Braga, A. A. C. (2024). Theoretical insights on the unexpected lability of Ru(III)(phtpy)Cl3: ligand-metal interactions through the lenses of DFT and TD-DFT. In Proceedings. Belo Horizonte: Universidade Federal de Minas Gerais/UFMG. Recuperado de https://bmic2024.qui.ufmg.br/
NLM
Randolli LG, Mizumoto TM, Duarte LJ, Araki K, Braga AAC. Theoretical insights on the unexpected lability of Ru(III)(phtpy)Cl3: ligand-metal interactions through the lenses of DFT and TD-DFT [Internet]. Proceedings. 2024 ;[citado 2025 jun. 13 ] Available from: https://bmic2024.qui.ufmg.br/
Vancouver
Randolli LG, Mizumoto TM, Duarte LJ, Araki K, Braga AAC. Theoretical insights on the unexpected lability of Ru(III)(phtpy)Cl3: ligand-metal interactions through the lenses of DFT and TD-DFT [Internet]. Proceedings. 2024 ;[citado 2025 jun. 13 ] Available from: https://bmic2024.qui.ufmg.br/
Artigo de periodico
Synergistic charge-transfer dynamics of rigid fused and unfused backbone with donors lead to promising photovoltaic properties of diazaborinine-based chromophores (2024)
khalid, Muhammad; Zafar, Maria; Shafiq, Iqra; Braga, Ataualpa Albert Carmo ; Haroon, Muhammad; Ahamad, Tansir
Source: Materials Science in Semiconductor Processing. Unidade: IQ
Assunto: CÉLULAS SOLARES
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ABNT
KHALID, Muhammad et al. Synergistic charge-transfer dynamics of rigid fused and unfused backbone with donors lead to promising photovoltaic properties of diazaborinine-based chromophores. Materials Science in Semiconductor Processing, v. 182, p. 1-16 art. 108695, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.mssp.2024.108695. Acesso em: 13 jun. 2025.
APA
khalid, M., Zafar, M., Shafiq, I., Braga, A. A. C., Haroon, M., & Ahamad, T. (2024). Synergistic charge-transfer dynamics of rigid fused and unfused backbone with donors lead to promising photovoltaic properties of diazaborinine-based chromophores. Materials Science in Semiconductor Processing, 182, 1-16 art. 108695. doi:10.1016/j.mssp.2024.108695
NLM
khalid M, Zafar M, Shafiq I, Braga AAC, Haroon M, Ahamad T. Synergistic charge-transfer dynamics of rigid fused and unfused backbone with donors lead to promising photovoltaic properties of diazaborinine-based chromophores [Internet]. Materials Science in Semiconductor Processing. 2024 ; 182 1-16 art. 108695.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1016/j.mssp.2024.108695
Vancouver
khalid M, Zafar M, Shafiq I, Braga AAC, Haroon M, Ahamad T. Synergistic charge-transfer dynamics of rigid fused and unfused backbone with donors lead to promising photovoltaic properties of diazaborinine-based chromophores [Internet]. Materials Science in Semiconductor Processing. 2024 ; 182 1-16 art. 108695.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1016/j.mssp.2024.108695
Artigo de periodico
Theoretical expedition for enhancing photovoltaic performance: DFT investigation of benzo[c][1,2,5] thiadiazole-based scaffolds for organic solar cells (2024)
Khalid, Muhammad ; Sagir, Muhammad; Zahid, Muhammad; Morais, Sara Figueirêdo de Alcântara ; Saqib, Muhammad ; Ullah, Sami; Munawar, Khurram Shahzad ; Braga, Ataualpa Albert Carmo ; Assiri, Mohammed Ali
Source: Industrial and Engineering Chemistry Research. Unidade: IQ
Subjects: ENERGIA ELÉTRICA, MOLÉCULA, ENERGIA SOLAR
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ABNT
KHALID, Muhammad et al. Theoretical expedition for enhancing photovoltaic performance: DFT investigation of benzo[c][1,2,5] thiadiazole-based scaffolds for organic solar cells. Industrial and Engineering Chemistry Research, v. 63, n. 6, p. 2726–2739, 2024Tradução . . Disponível em: https://dx.doi.org/10.1021/acs.iecr.3c04133. Acesso em: 13 jun. 2025.
APA
Khalid, M., Sagir, M., Zahid, M., Morais, S. F. de A., Saqib, M., Ullah, S., et al. (2024). Theoretical expedition for enhancing photovoltaic performance: DFT investigation of benzo[c][1,2,5] thiadiazole-based scaffolds for organic solar cells. Industrial and Engineering Chemistry Research, 63( 6), 2726–2739. doi:10.1021/acs.iecr.3c04133
NLM
Khalid M, Sagir M, Zahid M, Morais SF de A, Saqib M, Ullah S, Munawar KS, Braga AAC, Assiri MA. Theoretical expedition for enhancing photovoltaic performance: DFT investigation of benzo[c][1,2,5] thiadiazole-based scaffolds for organic solar cells [Internet]. Industrial and Engineering Chemistry Research. 2024 ; 63( 6): 2726–2739.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1021/acs.iecr.3c04133
Vancouver
Khalid M, Sagir M, Zahid M, Morais SF de A, Saqib M, Ullah S, Munawar KS, Braga AAC, Assiri MA. Theoretical expedition for enhancing photovoltaic performance: DFT investigation of benzo[c][1,2,5] thiadiazole-based scaffolds for organic solar cells [Internet]. Industrial and Engineering Chemistry Research. 2024 ; 63( 6): 2726–2739.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1021/acs.iecr.3c04133
Artigo de periodico
Amplifying the photovoltaic properties of tetrathiafulvalenes based materials by incorporation of small acceptors: a density functional theory approach (2024)
khalid, Muhammad; Tariq, Ayesha; Braga, Ataualpa Albert Carmo ; Alotaibi, Rajeh; Ojha, Suvash Chandra
Source: Scientific Reports. Unidade: IQ
Subjects: COMPOSTOS AROMÁTICOS, CÉLULAS SOLARES, QUÍMICA TEÓRICA, ENGENHARIA QUÍMICA
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ABNT
KHALID, Muhammad et al. Amplifying the photovoltaic properties of tetrathiafulvalenes based materials by incorporation of small acceptors: a density functional theory approach. Scientific Reports, v. 14, p. 1-15 art. 24213, 2024Tradução . . Disponível em: https://dx.doi.org/10.1038/s41598-024-74852-0. Acesso em: 13 jun. 2025.
APA
khalid, M., Tariq, A., Braga, A. A. C., Alotaibi, R., & Ojha, S. C. (2024). Amplifying the photovoltaic properties of tetrathiafulvalenes based materials by incorporation of small acceptors: a density functional theory approach. Scientific Reports, 14, 1-15 art. 24213. doi:10.1038/s41598-024-74852-0
NLM
khalid M, Tariq A, Braga AAC, Alotaibi R, Ojha SC. Amplifying the photovoltaic properties of tetrathiafulvalenes based materials by incorporation of small acceptors: a density functional theory approach [Internet]. Scientific Reports. 2024 ; 14 1-15 art. 24213.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1038/s41598-024-74852-0
Vancouver
khalid M, Tariq A, Braga AAC, Alotaibi R, Ojha SC. Amplifying the photovoltaic properties of tetrathiafulvalenes based materials by incorporation of small acceptors: a density functional theory approach [Internet]. Scientific Reports. 2024 ; 14 1-15 art. 24213.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1038/s41598-024-74852-0
Artigo de periodico
Exploration of the effect of multiple acceptor and π–spacer moieties coupled to indolonaphthyridine core for promising organic photovoltaic properties: a first principles framework (2024)
Khan, Mashal; khalid, Muhammad; Murtaza, Shahzad; Braga, Ataualpa Albert Carmo ; Alrashidi, Khalid Abdullah; Ahmed, Sarfraz
Source: Scientific Reports. Unidade: IQ
Subjects: CÉLULAS SOLARES, FULERENO
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ABNT
KHAN, Mashal et al. Exploration of the effect of multiple acceptor and π–spacer moieties coupled to indolonaphthyridine core for promising organic photovoltaic properties: a first principles framework. Scientific Reports, v. 14, p. 1-21 art. 19820, 2024Tradução . . Disponível em: https://dx.doi.org/10.1038/s41598-024-70457-9. Acesso em: 13 jun. 2025.
APA
Khan, M., khalid, M., Murtaza, S., Braga, A. A. C., Alrashidi, K. A., & Ahmed, S. (2024). Exploration of the effect of multiple acceptor and π–spacer moieties coupled to indolonaphthyridine core for promising organic photovoltaic properties: a first principles framework. Scientific Reports, 14, 1-21 art. 19820. doi:10.1038/s41598-024-70457-9
NLM
Khan M, khalid M, Murtaza S, Braga AAC, Alrashidi KA, Ahmed S. Exploration of the effect of multiple acceptor and π–spacer moieties coupled to indolonaphthyridine core for promising organic photovoltaic properties: a first principles framework [Internet]. Scientific Reports. 2024 ; 14 1-21 art. 19820.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1038/s41598-024-70457-9
Vancouver
Khan M, khalid M, Murtaza S, Braga AAC, Alrashidi KA, Ahmed S. Exploration of the effect of multiple acceptor and π–spacer moieties coupled to indolonaphthyridine core for promising organic photovoltaic properties: a first principles framework [Internet]. Scientific Reports. 2024 ; 14 1-21 art. 19820.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1038/s41598-024-70457-9
Artigo de periodico
Theoretical approach towards benzodithiophene-based chromophores with extended acceptors for prediction of efficient nonlinear optical behaviour (2024)
Khalid, Muhammad ; Maqsood, Rabia; Shafiq, Iqra ; Baby, Rabia ; Asghar, Muhammad Adnan ; Ahmed, Sarfraz ; Alshehri, Saad M ; Braga, Ataualpa Albert Carmo
Source: Arabian Journal for Science and Engineering. Unidade: IQ
Assunto: QUÍMICA QUÂNTICA
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ABNT
KHALID, Muhammad et al. Theoretical approach towards benzodithiophene-based chromophores with extended acceptors for prediction of efficient nonlinear optical behaviour. Arabian Journal for Science and Engineering, v. 49, p. 339–359, 2024Tradução . . Disponível em: https://doi.org/10.1007/s13369-023-08136-6. Acesso em: 13 jun. 2025.
APA
Khalid, M., Maqsood, R., Shafiq, I., Baby, R., Asghar, M. A., Ahmed, S., et al. (2024). Theoretical approach towards benzodithiophene-based chromophores with extended acceptors for prediction of efficient nonlinear optical behaviour. Arabian Journal for Science and Engineering, 49, 339–359. doi:10.1007/s13369-023-08136-6
NLM
Khalid M, Maqsood R, Shafiq I, Baby R, Asghar MA, Ahmed S, Alshehri SM, Braga AAC. Theoretical approach towards benzodithiophene-based chromophores with extended acceptors for prediction of efficient nonlinear optical behaviour [Internet]. Arabian Journal for Science and Engineering. 2024 ; 49 339–359.[citado 2025 jun. 13 ] Available from: https://doi.org/10.1007/s13369-023-08136-6
Vancouver
Khalid M, Maqsood R, Shafiq I, Baby R, Asghar MA, Ahmed S, Alshehri SM, Braga AAC. Theoretical approach towards benzodithiophene-based chromophores with extended acceptors for prediction of efficient nonlinear optical behaviour [Internet]. Arabian Journal for Science and Engineering. 2024 ; 49 339–359.[citado 2025 jun. 13 ] Available from: https://doi.org/10.1007/s13369-023-08136-6
Artigo de periodico
Exploration of photovoltaic properties towards efficient organic solar cells for Thieno[3,2-b]thiophene fused naphthalene core based acceptor derivatives (2024)
Khalid, Muhammad; Mustafa, Ayesha; Braga, Ataualpa Albert Carmo; Asghar, Muhammad Adnan; Raza, Nadeem; Khairy, Mohamed
Source: Journal of Photochemistry & Photobiology A. Unidade: IQ
Subjects: CÉLULAS SOLARES, ÓPTICA ELETRÔNICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
KHALID, Muhammad et al. Exploration of photovoltaic properties towards efficient organic solar cells for Thieno[3,2-b]thiophene fused naphthalene core based acceptor derivatives. Journal of Photochemistry & Photobiology A, v. 447, p. 1-14 art. 115279, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.jphotochem.2023.115279. Acesso em: 13 jun. 2025.
APA
Khalid, M., Mustafa, A., Braga, A. A. C., Asghar, M. A., Raza, N., & Khairy, M. (2024). Exploration of photovoltaic properties towards efficient organic solar cells for Thieno[3,2-b]thiophene fused naphthalene core based acceptor derivatives. Journal of Photochemistry & Photobiology A, 447, 1-14 art. 115279. doi:10.1016/j.jphotochem.2023.115279
NLM
Khalid M, Mustafa A, Braga AAC, Asghar MA, Raza N, Khairy M. Exploration of photovoltaic properties towards efficient organic solar cells for Thieno[3,2-b]thiophene fused naphthalene core based acceptor derivatives [Internet]. Journal of Photochemistry & Photobiology A. 2024 ; 447 1-14 art. 115279.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1016/j.jphotochem.2023.115279
Vancouver
Khalid M, Mustafa A, Braga AAC, Asghar MA, Raza N, Khairy M. Exploration of photovoltaic properties towards efficient organic solar cells for Thieno[3,2-b]thiophene fused naphthalene core based acceptor derivatives [Internet]. Journal of Photochemistry & Photobiology A. 2024 ; 447 1-14 art. 115279.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1016/j.jphotochem.2023.115279
Artigo de periodico
Use of benzothiophene ring to improve the photovoltaic efficacy of cyanopyridinone-based organic chromophores: a DFT study (2024)
Shafiq, Iqra; Khalid, Muhammad ; Maria, Gul; Raza, Nadeem; Braga, Ataualpa Albert Carmo ; Bullo, Saifullah ; Khairy, Mohamed
Source: RSC Advances. Unidade: IQ
Subjects: CRISE ENERGÉTICA, ENERGIA EÓLICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SHAFIQ, Iqra et al. Use of benzothiophene ring to improve the photovoltaic efficacy of cyanopyridinone-based organic chromophores: a DFT study. RSC Advances, v. 14, p. 12841-12852, 2024Tradução . . Disponível em: https://dx.doi.org/10.1039/d3ra06817j. Acesso em: 13 jun. 2025.
APA
Shafiq, I., Khalid, M., Maria, G., Raza, N., Braga, A. A. C., Bullo, S., & Khairy, M. (2024). Use of benzothiophene ring to improve the photovoltaic efficacy of cyanopyridinone-based organic chromophores: a DFT study. RSC Advances, 14, 12841-12852. doi:10.1039/d3ra06817j
NLM
Shafiq I, Khalid M, Maria G, Raza N, Braga AAC, Bullo S, Khairy M. Use of benzothiophene ring to improve the photovoltaic efficacy of cyanopyridinone-based organic chromophores: a DFT study [Internet]. RSC Advances. 2024 ; 14 12841-12852.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1039/d3ra06817j
Vancouver
Shafiq I, Khalid M, Maria G, Raza N, Braga AAC, Bullo S, Khairy M. Use of benzothiophene ring to improve the photovoltaic efficacy of cyanopyridinone-based organic chromophores: a DFT study [Internet]. RSC Advances. 2024 ; 14 12841-12852.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1039/d3ra06817j
Artigo de periodico
SC-XRD structural characterization, insights of key electronic, and nonlinear optical properties of dimethoxybenzenesulfonate crystals: a combine experimental and DFT approach (2024)
Arshad, Muhammad Nadeem ; khalid, Muhammad; Sheikh, Tahir Ali ; Asad, Mohammad ; Alzahrani, Khalid A; Marwani, Hadi M; Braga, Ataualpa Albert Carmo
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: ÓPTICA NÃO LINEAR, CLORETO, BENZENO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
ARSHAD, Muhammad Nadeem et al. SC-XRD structural characterization, insights of key electronic, and nonlinear optical properties of dimethoxybenzenesulfonate crystals: a combine experimental and DFT approach. Journal of Molecular Structure, v. 1314, p. 1-17 art. 138696, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.molstruc.2024.138696. Acesso em: 13 jun. 2025.
APA
Arshad, M. N., khalid, M., Sheikh, T. A., Asad, M., Alzahrani, K. A., Marwani, H. M., & Braga, A. A. C. (2024). SC-XRD structural characterization, insights of key electronic, and nonlinear optical properties of dimethoxybenzenesulfonate crystals: a combine experimental and DFT approach. Journal of Molecular Structure, 1314, 1-17 art. 138696. doi:10.1016/j.molstruc.2024.138696
NLM
Arshad MN, khalid M, Sheikh TA, Asad M, Alzahrani KA, Marwani HM, Braga AAC. SC-XRD structural characterization, insights of key electronic, and nonlinear optical properties of dimethoxybenzenesulfonate crystals: a combine experimental and DFT approach [Internet]. Journal of Molecular Structure. 2024 ; 1314 1-17 art. 138696.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1016/j.molstruc.2024.138696
Vancouver
Arshad MN, khalid M, Sheikh TA, Asad M, Alzahrani KA, Marwani HM, Braga AAC. SC-XRD structural characterization, insights of key electronic, and nonlinear optical properties of dimethoxybenzenesulfonate crystals: a combine experimental and DFT approach [Internet]. Journal of Molecular Structure. 2024 ; 1314 1-17 art. 138696.[citado 2025 jun. 13 ] Available from: https://dx.doi.org/10.1016/j.molstruc.2024.138696
Trabalho de evento-resumo
Theoretical and experimental approach to visible light-catalysed 6π-photoelectrocyclization (2024)
Alves, Erick Henrique de Souza ; Braga, Ataualpa Albert Carmo ; Paz, Bruno Matos
Source: Book of Abstracts. Conference titles: Brazilian Meeting on Organic Synthesis/BMOS. Unidade: IQ
Assunto: FOTOCATÁLISE
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
ALVES, Erick Henrique de Souza e BRAGA, Ataualpa Albert Carmo e PAZ, Bruno Matos. Theoretical and experimental approach to visible light-catalysed 6π-photoelectrocyclization. 2024, Anais.. Porto Alegre: Universidade Federal do Rio Grande do Sul - UFRGS, 2024. Disponível em: https://schenautomacao.com.br/bmos/envio/files/trabalho1_206.pdf. Acesso em: 13 jun. 2025.
APA
Alves, E. H. de S., Braga, A. A. C., & Paz, B. M. (2024). Theoretical and experimental approach to visible light-catalysed 6π-photoelectrocyclization. In Book of Abstracts. Porto Alegre: Universidade Federal do Rio Grande do Sul - UFRGS. Recuperado de https://schenautomacao.com.br/bmos/envio/files/trabalho1_206.pdf
NLM
Alves EH de S, Braga AAC, Paz BM. Theoretical and experimental approach to visible light-catalysed 6π-photoelectrocyclization [Internet]. Book of Abstracts. 2024 ;[citado 2025 jun. 13 ] Available from: https://schenautomacao.com.br/bmos/envio/files/trabalho1_206.pdf
Vancouver
Alves EH de S, Braga AAC, Paz BM. Theoretical and experimental approach to visible light-catalysed 6π-photoelectrocyclization [Internet]. Book of Abstracts. 2024 ;[citado 2025 jun. 13 ] Available from: https://schenautomacao.com.br/bmos/envio/files/trabalho1_206.pdf
Artigo de periodico
Enhancing the photovoltaic properties via incorporation of selenophene units in organic chromophores with A2-π2-A1-π1-A2 configuration: a DFT-based exploration (2023)
Arshad, Muhammad Nadeem ; Shafiq, Iqra ; Khalid, Muhammad ; Asad, Mohammad; Asiri, Abdullah M ; Alotaibi, Maha M; Braga, Ataualpa Albert Carmo ; Khan, Anish ; Alamry, Khalid A
Source: Polymers. Unidade: IQ
Subjects: CÉLULAS SOLARES, CONVERSÃO DE ENERGIA ELÉTRICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
ARSHAD, Muhammad Nadeem et al. Enhancing the photovoltaic properties via incorporation of selenophene units in organic chromophores with A2-π2-A1-π1-A2 configuration: a DFT-based exploration. Polymers, v. 15, p. 19 art. 1508, 2023Tradução . . Disponível em: https://doi.org/10.3390/polym15061508. Acesso em: 13 jun. 2025.
APA
Arshad, M. N., Shafiq, I., Khalid, M., Asad, M., Asiri, A. M., Alotaibi, M. M., et al. (2023). Enhancing the photovoltaic properties via incorporation of selenophene units in organic chromophores with A2-π2-A1-π1-A2 configuration: a DFT-based exploration. Polymers, 15, 19 art. 1508. doi:10.3390/polym15061508
NLM
Arshad MN, Shafiq I, Khalid M, Asad M, Asiri AM, Alotaibi MM, Braga AAC, Khan A, Alamry KA. Enhancing the photovoltaic properties via incorporation of selenophene units in organic chromophores with A2-π2-A1-π1-A2 configuration: a DFT-based exploration [Internet]. Polymers. 2023 ; 15 19 art. 1508.[citado 2025 jun. 13 ] Available from: https://doi.org/10.3390/polym15061508
Vancouver
Arshad MN, Shafiq I, Khalid M, Asad M, Asiri AM, Alotaibi MM, Braga AAC, Khan A, Alamry KA. Enhancing the photovoltaic properties via incorporation of selenophene units in organic chromophores with A2-π2-A1-π1-A2 configuration: a DFT-based exploration [Internet]. Polymers. 2023 ; 15 19 art. 1508.[citado 2025 jun. 13 ] Available from: https://doi.org/10.3390/polym15061508
Artigo de periodico
A theoretical approach towards designing of banana shaped non‑fullerene chromophores using efficient acceptors moieties: exploration of their NLO response properties (2023)
Khalid, Muhammad ; Naseer, Samran; Tahir, Muhammad Suleman; Shafiq, Iqra ; Munawar, Khurram Shahzad ; Morais, Sara Figueirêdo de Alcântara ; Braga, Ataualpa Albert Carmo
Source: Optical and Quantum Electronics. Unidade: IQ
Assunto: MATERIAIS ÓPTICOS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
KHALID, Muhammad et al. A theoretical approach towards designing of banana shaped non‑fullerene chromophores using efficient acceptors moieties: exploration of their NLO response properties. Optical and Quantum Electronics, v. 55, p. 1-23, 2023Tradução . . Disponível em: https://doi.org/10.1007/s11082-022-04441-w. Acesso em: 13 jun. 2025.
APA
Khalid, M., Naseer, S., Tahir, M. S., Shafiq, I., Munawar, K. S., Morais, S. F. de A., & Braga, A. A. C. (2023). A theoretical approach towards designing of banana shaped non‑fullerene chromophores using efficient acceptors moieties: exploration of their NLO response properties. Optical and Quantum Electronics, 55, 1-23. doi:10.1007/s11082-022-04441-w
NLM
Khalid M, Naseer S, Tahir MS, Shafiq I, Munawar KS, Morais SF de A, Braga AAC. A theoretical approach towards designing of banana shaped non‑fullerene chromophores using efficient acceptors moieties: exploration of their NLO response properties [Internet]. Optical and Quantum Electronics. 2023 ; 55 1-23.[citado 2025 jun. 13 ] Available from: https://doi.org/10.1007/s11082-022-04441-w
Vancouver
Khalid M, Naseer S, Tahir MS, Shafiq I, Munawar KS, Morais SF de A, Braga AAC. A theoretical approach towards designing of banana shaped non‑fullerene chromophores using efficient acceptors moieties: exploration of their NLO response properties [Internet]. Optical and Quantum Electronics. 2023 ; 55 1-23.[citado 2025 jun. 13 ] Available from: https://doi.org/10.1007/s11082-022-04441-w

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