ReP USP - Resultado da busca

Artigo de periodico
Exploration the effect of selenophene moiety and benzothiophene based acceptors on optical nonlinearity of D–π–A based heterocyclic organic compounds in chloroform solvent: a DFT approach (2024)
Shafiq, Iqra ; Braga, Ataualpa Albert Carmo ; Tariq, Zara; Alhokbany, Norah ; Chen, Ke
Source: Journal of Molecular Liquids. Unidade: IQ
Subjects: FULERENO, COMPOSTOS ORGÂNICOS, COMPOSTOS HETEROCÍCLICOS
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ABNT
SHAFIQ, Iqra et al. Exploration the effect of selenophene moiety and benzothiophene based acceptors on optical nonlinearity of D–π–A based heterocyclic organic compounds in chloroform solvent: a DFT approach. Journal of Molecular Liquids, v. 393, p. 1-17 art. 123569, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.molliq.2023.123569. Acesso em: 04 ago. 2024.
APA
Shafiq, I., Braga, A. A. C., Tariq, Z., Alhokbany, N., & Chen, K. (2024). Exploration the effect of selenophene moiety and benzothiophene based acceptors on optical nonlinearity of D–π–A based heterocyclic organic compounds in chloroform solvent: a DFT approach. Journal of Molecular Liquids, 393, 1-17 art. 123569. doi:10.1016/j.molliq.2023.123569
NLM
Shafiq I, Braga AAC, Tariq Z, Alhokbany N, Chen K. Exploration the effect of selenophene moiety and benzothiophene based acceptors on optical nonlinearity of D–π–A based heterocyclic organic compounds in chloroform solvent: a DFT approach [Internet]. Journal of Molecular Liquids. 2024 ; 393 1-17 art. 123569.[citado 2024 ago. 04 ] Available from: https://dx.doi.org/10.1016/j.molliq.2023.123569
Vancouver
Shafiq I, Braga AAC, Tariq Z, Alhokbany N, Chen K. Exploration the effect of selenophene moiety and benzothiophene based acceptors on optical nonlinearity of D–π–A based heterocyclic organic compounds in chloroform solvent: a DFT approach [Internet]. Journal of Molecular Liquids. 2024 ; 393 1-17 art. 123569.[citado 2024 ago. 04 ] Available from: https://dx.doi.org/10.1016/j.molliq.2023.123569
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: 04 ago. 2024.
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 2024 ago. 04 ] 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 2024 ago. 04 ] Available from: https://dx.doi.org/10.1016/j.mssp.2024.108695
Artigo de periodico
Facile synthesis, spectroscopic and nonlinear optical insights of Hydrazinyl-based functional materials: experimental and DFT approach (2024)
Mehmood, Hasnain; Akhtar, Tashfeen ; Haroon, Muhammad; khalid, Muhammad; Woodward, Simon; Shafiq, Iqra ; Braga, Ataualpa Albert Carmo ; Alhokbany, Norah
Source: Polycyclic Aromatic Compounds. Unidade: IQ
Subjects: QUÍMICA QUÂNTICA, ESPECTROSCOPIA
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ABNT
MEHMOOD, Hasnain et al. Facile synthesis, spectroscopic and nonlinear optical insights of Hydrazinyl-based functional materials: experimental and DFT approach. Polycyclic Aromatic Compounds, v. 44, n. 5, p. 3456–3475, 2024Tradução . . Disponível em: https://dx.doi.org/10.1080/10406638.2023.2235871. Acesso em: 04 ago. 2024.
APA
Mehmood, H., Akhtar, T., Haroon, M., khalid, M., Woodward, S., Shafiq, I., et al. (2024). Facile synthesis, spectroscopic and nonlinear optical insights of Hydrazinyl-based functional materials: experimental and DFT approach. Polycyclic Aromatic Compounds, 44( 5), 3456–3475. doi:10.1080/10406638.2023.2235871
NLM
Mehmood H, Akhtar T, Haroon M, khalid M, Woodward S, Shafiq I, Braga AAC, Alhokbany N. Facile synthesis, spectroscopic and nonlinear optical insights of Hydrazinyl-based functional materials: experimental and DFT approach [Internet]. Polycyclic Aromatic Compounds. 2024 ; 44( 5): 3456–3475.[citado 2024 ago. 04 ] Available from: https://dx.doi.org/10.1080/10406638.2023.2235871
Vancouver
Mehmood H, Akhtar T, Haroon M, khalid M, Woodward S, Shafiq I, Braga AAC, Alhokbany N. Facile synthesis, spectroscopic and nonlinear optical insights of Hydrazinyl-based functional materials: experimental and DFT approach [Internet]. Polycyclic Aromatic Compounds. 2024 ; 44( 5): 3456–3475.[citado 2024 ago. 04 ] Available from: https://dx.doi.org/10.1080/10406638.2023.2235871
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: 04 ago. 2024.
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 2024 ago. 04 ] 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 2024 ago. 04 ] Available from: https://doi.org/10.1007/s13369-023-08136-6
Artigo de periodico
The impact of structural modifications into benzodithiophene compounds on electronic and optical properties for organic solar cells (2023)
Shafiq, Iqra ; Khalid, Muhammad; Muneer, Malaika; Asghar, Muhammad Adnan ; Baby, Rabia; Ahmed, Sarfraz ; Ahamad, Tansir; Morais, Sara Figueirêdo de Alcântara ; Braga, Ataualpa Albert Carmo
Source: Materials Chemistry and Physics. Unidade: IQ
Subjects: CÉLULAS SOLARES, PROPRIEDADES ÓPTICAS DA SOLUÇÃO, FULERENO
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ABNT
SHAFIQ, Iqra et al. The impact of structural modifications into benzodithiophene compounds on electronic and optical properties for organic solar cells. Materials Chemistry and Physics, v. 308, p. 1-13 art. 128154, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.matchemphys.2023.128154. Acesso em: 04 ago. 2024.
APA
Shafiq, I., Khalid, M., Muneer, M., Asghar, M. A., Baby, R., Ahmed, S., et al. (2023). The impact of structural modifications into benzodithiophene compounds on electronic and optical properties for organic solar cells. Materials Chemistry and Physics, 308, 1-13 art. 128154. doi:10.1016/j.matchemphys.2023.128154
NLM
Shafiq I, Khalid M, Muneer M, Asghar MA, Baby R, Ahmed S, Ahamad T, Morais SF de A, Braga AAC. The impact of structural modifications into benzodithiophene compounds on electronic and optical properties for organic solar cells [Internet]. Materials Chemistry and Physics. 2023 ; 308 1-13 art. 128154.[citado 2024 ago. 04 ] Available from: https://doi.org/10.1016/j.matchemphys.2023.128154
Vancouver
Shafiq I, Khalid M, Muneer M, Asghar MA, Baby R, Ahmed S, Ahamad T, Morais SF de A, Braga AAC. The impact of structural modifications into benzodithiophene compounds on electronic and optical properties for organic solar cells [Internet]. Materials Chemistry and Physics. 2023 ; 308 1-13 art. 128154.[citado 2024 ago. 04 ] Available from: https://doi.org/10.1016/j.matchemphys.2023.128154
Artigo de periodico
Designing Strategies towards non-fullerene DTCR1 based compounds for the exploration of Non-linear optical behavior (2023)
khalid, Muhammad; Saeed, Zubaria; Shafiq, Iqra ; Asghar, Muhammad Adnan ; Braga, Ataualpa Albert Carmo ; Alshehri, Saad M; Akram, Muhammad Safwan ; Ojha, Suvash Chandra
Source: Journal of Saudi Chemical Society. Unidade: IQ
Subjects: ORBITAL MOLECULAR, FULERENO
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ABNT
KHALID, Muhammad et al. Designing Strategies towards non-fullerene DTCR1 based compounds for the exploration of Non-linear optical behavior. Journal of Saudi Chemical Society, v. 27, n. 4, p. 1-16 art. 101683, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.jscs.2023.101683. Acesso em: 04 ago. 2024.
APA
khalid, M., Saeed, Z., Shafiq, I., Asghar, M. A., Braga, A. A. C., Alshehri, S. M., et al. (2023). Designing Strategies towards non-fullerene DTCR1 based compounds for the exploration of Non-linear optical behavior. Journal of Saudi Chemical Society, 27( 4), 1-16 art. 101683. doi:10.1016/j.jscs.2023.101683
NLM
khalid M, Saeed Z, Shafiq I, Asghar MA, Braga AAC, Alshehri SM, Akram MS, Ojha SC. Designing Strategies towards non-fullerene DTCR1 based compounds for the exploration of Non-linear optical behavior [Internet]. Journal of Saudi Chemical Society. 2023 ; 27( 4): 1-16 art. 101683.[citado 2024 ago. 04 ] Available from: https://doi.org/10.1016/j.jscs.2023.101683
Vancouver
khalid M, Saeed Z, Shafiq I, Asghar MA, Braga AAC, Alshehri SM, Akram MS, Ojha SC. Designing Strategies towards non-fullerene DTCR1 based compounds for the exploration of Non-linear optical behavior [Internet]. Journal of Saudi Chemical Society. 2023 ; 27( 4): 1-16 art. 101683.[citado 2024 ago. 04 ] Available from: https://doi.org/10.1016/j.jscs.2023.101683
Artigo de periodico
Structural modeling of 1,4 azaborine-based chromophores for organic solar cells using bracing units with benzothiophene-incorporated acceptors for exploration of photovoltaic behavior (2023)
Khalid, Muhammad ; Shafiq, Iqra ; Ojha, Suvash Chandra ; Braga, Ataualpa Albert Carmo ; Ahamad, Tansir ; Arshad, Muhammad
Source: Journal of Photochemistry & Photobiology, A: Chemistry. Unidade: IQ
Subjects: ÓPTICA ELETRÔNICA, CÉLULAS SOLARES
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ABNT
KHALID, Muhammad et al. Structural modeling of 1,4 azaborine-based chromophores for organic solar cells using bracing units with benzothiophene-incorporated acceptors for exploration of photovoltaic behavior. Journal of Photochemistry & Photobiology, A: Chemistry, v. 445, p. 1-17, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.jphotochem.2023.115091. Acesso em: 04 ago. 2024.
APA
Khalid, M., Shafiq, I., Ojha, S. C., Braga, A. A. C., Ahamad, T., & Arshad, M. (2023). Structural modeling of 1,4 azaborine-based chromophores for organic solar cells using bracing units with benzothiophene-incorporated acceptors for exploration of photovoltaic behavior. Journal of Photochemistry & Photobiology, A: Chemistry, 445, 1-17. doi:10.1016/j.jphotochem.2023.115091
NLM
Khalid M, Shafiq I, Ojha SC, Braga AAC, Ahamad T, Arshad M. Structural modeling of 1,4 azaborine-based chromophores for organic solar cells using bracing units with benzothiophene-incorporated acceptors for exploration of photovoltaic behavior [Internet]. Journal of Photochemistry & Photobiology, A: Chemistry. 2023 ; 445 1-17.[citado 2024 ago. 04 ] Available from: https://doi.org/10.1016/j.jphotochem.2023.115091
Vancouver
Khalid M, Shafiq I, Ojha SC, Braga AAC, Ahamad T, Arshad M. Structural modeling of 1,4 azaborine-based chromophores for organic solar cells using bracing units with benzothiophene-incorporated acceptors for exploration of photovoltaic behavior [Internet]. Journal of Photochemistry & Photobiology, A: Chemistry. 2023 ; 445 1-17.[citado 2024 ago. 04 ] Available from: https://doi.org/10.1016/j.jphotochem.2023.115091
Artigo de periodico
Role of donors in triggering second order non-linear optical properties of non-fullerene FCO-2FR1 based derivatives: a theoretical perspective (2023)
Khalid, Muhammad ; Khan, Mashal; Shafiq, Iqra ; Mahmood, Khalid; Akhtar, Muhammad Nadeem ; Iqbal, Javed; Al-Sadoon, Mohammad Khalid; Zaman, Wajid; Braga, Ataualpa Albert Carmo
Source: Heliyon. Unidade: IQ
Subjects: DIFRAÇÃO POR RAIOS X, COMPOSTOS ORGÂNICOS
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ABNT
KHALID, Muhammad et al. Role of donors in triggering second order non-linear optical properties of non-fullerene FCO-2FR1 based derivatives: a theoretical perspective. Heliyon, v. 9, p. 1-19 art. e13033, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.heliyon.2023.e13033. Acesso em: 04 ago. 2024.
APA
Khalid, M., Khan, M., Shafiq, I., Mahmood, K., Akhtar, M. N., Iqbal, J., et al. (2023). Role of donors in triggering second order non-linear optical properties of non-fullerene FCO-2FR1 based derivatives: a theoretical perspective. Heliyon, 9, 1-19 art. e13033. doi:10.1016/j.heliyon.2023.e13033
NLM
Khalid M, Khan M, Shafiq I, Mahmood K, Akhtar MN, Iqbal J, Al-Sadoon MK, Zaman W, Braga AAC. Role of donors in triggering second order non-linear optical properties of non-fullerene FCO-2FR1 based derivatives: a theoretical perspective [Internet]. Heliyon. 2023 ; 9 1-19 art. e13033.[citado 2024 ago. 04 ] Available from: https://doi.org/10.1016/j.heliyon.2023.e13033
Vancouver
Khalid M, Khan M, Shafiq I, Mahmood K, Akhtar MN, Iqbal J, Al-Sadoon MK, Zaman W, Braga AAC. Role of donors in triggering second order non-linear optical properties of non-fullerene FCO-2FR1 based derivatives: a theoretical perspective [Internet]. Heliyon. 2023 ; 9 1-19 art. e13033.[citado 2024 ago. 04 ] Available from: https://doi.org/10.1016/j.heliyon.2023.e13033
Artigo de periodico
Theoretical perspective toward designing of 5-Methylbenzo [1,2-b:3,4-b′:6,5-b″] trithiophene-based nonlinear optical compounds with extended acceptors (2023)
Shafiq, Iqra; Mustafa, Ayesha; Zahid, Romaisa; Baby, Rabia; Ahmed, Sarfraz; Asghar, Muhammad Adnan ; Ahamad, Tansir; Alam, Manawwer; Braga, Ataualpa Albert Carmo ; Ojha, Suvash Chandra
Source: ACS Omega. Unidade: IQ
Subjects: CONDUTIVIDADE ELÉTRICA, MOLÉCULA, ENERGIA ELÉTRICA
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ABNT
SHAFIQ, Iqra et al. Theoretical perspective toward designing of 5-Methylbenzo [1,2-b:3,4-b′:6,5-b″] trithiophene-based nonlinear optical compounds with extended acceptors. ACS Omega, v. 8, p. 39288−39302, 2023Tradução . . Disponível em: https://dx.doi.org/10.1021/acsomega.3c04774. Acesso em: 04 ago. 2024.
APA
Shafiq, I., Mustafa, A., Zahid, R., Baby, R., Ahmed, S., Asghar, M. A., et al. (2023). Theoretical perspective toward designing of 5-Methylbenzo [1,2-b:3,4-b′:6,5-b″] trithiophene-based nonlinear optical compounds with extended acceptors. ACS Omega, 8, 39288−39302. doi:10.1021/acsomega.3c04774
NLM
Shafiq I, Mustafa A, Zahid R, Baby R, Ahmed S, Asghar MA, Ahamad T, Alam M, Braga AAC, Ojha SC. Theoretical perspective toward designing of 5-Methylbenzo [1,2-b:3,4-b′:6,5-b″] trithiophene-based nonlinear optical compounds with extended acceptors [Internet]. ACS Omega. 2023 ; 8 39288−39302.[citado 2024 ago. 04 ] Available from: https://dx.doi.org/10.1021/acsomega.3c04774
Vancouver
Shafiq I, Mustafa A, Zahid R, Baby R, Ahmed S, Asghar MA, Ahamad T, Alam M, Braga AAC, Ojha SC. Theoretical perspective toward designing of 5-Methylbenzo [1,2-b:3,4-b′:6,5-b″] trithiophene-based nonlinear optical compounds with extended acceptors [Internet]. ACS Omega. 2023 ; 8 39288−39302.[citado 2024 ago. 04 ] Available from: https://dx.doi.org/10.1021/acsomega.3c04774
Artigo de periodico
Promising impact of push–pull configuration into designed octacyclic naphthalene-based organic scaffolds for nonlinear optical amplitudes: a quantum chemical approach (2023)
Khalid, Muhammad; Shafiq, Iqra; Asghar, Muhammad Adnan; Braga, Ataualpa Albert Carmo ; Alshehri, Saad M; Haroon, Muhammad; Sanyang, Muhammed Lamin
Source: Scientific Reports. Unidade: IQ
Subjects: QUÍMICA QUÂNTICA, MATERIAIS ÓPTICOS
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ABNT
KHALID, Muhammad et al. Promising impact of push–pull configuration into designed octacyclic naphthalene-based organic scaffolds for nonlinear optical amplitudes: a quantum chemical approach. Scientific Reports, v. 13, p. 1-16 art. 20104, 2023Tradução . . Disponível em: https://dx.doi.org/10.1038/s41598-023-44327-9. Acesso em: 04 ago. 2024.
APA
Khalid, M., Shafiq, I., Asghar, M. A., Braga, A. A. C., Alshehri, S. M., Haroon, M., & Sanyang, M. L. (2023). Promising impact of push–pull configuration into designed octacyclic naphthalene-based organic scaffolds for nonlinear optical amplitudes: a quantum chemical approach. Scientific Reports, 13, 1-16 art. 20104. doi:10.1038/s41598-023-44327-9
NLM
Khalid M, Shafiq I, Asghar MA, Braga AAC, Alshehri SM, Haroon M, Sanyang ML. Promising impact of push–pull configuration into designed octacyclic naphthalene-based organic scaffolds for nonlinear optical amplitudes: a quantum chemical approach [Internet]. Scientific Reports. 2023 ; 13 1-16 art. 20104.[citado 2024 ago. 04 ] Available from: https://dx.doi.org/10.1038/s41598-023-44327-9
Vancouver
Khalid M, Shafiq I, Asghar MA, Braga AAC, Alshehri SM, Haroon M, Sanyang ML. Promising impact of push–pull configuration into designed octacyclic naphthalene-based organic scaffolds for nonlinear optical amplitudes: a quantum chemical approach [Internet]. Scientific Reports. 2023 ; 13 1-16 art. 20104.[citado 2024 ago. 04 ] Available from: https://dx.doi.org/10.1038/s41598-023-44327-9

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