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Artigo de periodico
Improved the optical nonlinearity of carbazole based chromophores via molecular engineering: a DFT approach (2024)
Khalid, Muhammad; Yasmeen, Sidra; Ahmed, Sarfraz ; Asghar, Muhammad Adnan; Imran, Muhammad; Braga, Ataualpa Albert Carmo ; Ojha, Suvash Chandra
Source: Arabian Journal of Chemistry. Unidade: IQ
Subjects: ENGENHARIA, MATERIAIS ÓPTICOS
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ABNT
KHALID, Muhammad et al. Improved the optical nonlinearity of carbazole based chromophores via molecular engineering: a DFT approach. Arabian Journal of Chemistry, v. 17, p. 1-11 art. 105753, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.arabjc.2024.105753. Acesso em: 28 jun. 2024.
APA
Khalid, M., Yasmeen, S., Ahmed, S., Asghar, M. A., Imran, M., Braga, A. A. C., & Ojha, S. C. (2024). Improved the optical nonlinearity of carbazole based chromophores via molecular engineering: a DFT approach. Arabian Journal of Chemistry, 17, 1-11 art. 105753. doi:10.1016/j.arabjc.2024.105753
NLM
Khalid M, Yasmeen S, Ahmed S, Asghar MA, Imran M, Braga AAC, Ojha SC. Improved the optical nonlinearity of carbazole based chromophores via molecular engineering: a DFT approach [Internet]. Arabian Journal of Chemistry. 2024 ; 17 1-11 art. 105753.[citado 2024 jun. 28 ] Available from: https://dx.doi.org/10.1016/j.arabjc.2024.105753
Vancouver
Khalid M, Yasmeen S, Ahmed S, Asghar MA, Imran M, Braga AAC, Ojha SC. Improved the optical nonlinearity of carbazole based chromophores via molecular engineering: a DFT approach [Internet]. Arabian Journal of Chemistry. 2024 ; 17 1-11 art. 105753.[citado 2024 jun. 28 ] Available from: https://dx.doi.org/10.1016/j.arabjc.2024.105753
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: 28 jun. 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 jun. 28 ] 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 jun. 28 ] Available from: https://dx.doi.org/10.1038/s41598-023-44327-9
Artigo de periodico
First theoretical framework for highly efficient photovoltaic parameters by structural modification with benzothiophene-incorporated acceptors in dithiophene based chromophores (2022)
Khalid, Muhammad; Ahmed, Rameez; shafq, Iqra; Arshad, Muhammad; Asghar, Muhammad Adnan; Munawar, Khurram Shahzad ; Imran, Muhammad; Braga, Ataualpa Albert Carmo
Source: Scientifc Reports. Unidades: FM, IQ
Subjects: CÉLULAS SOLARES, DEPÓSITOS DE COMBUSTÍVEL FÓSSIL
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ABNT
KHALID, Muhammad et al. First theoretical framework for highly efficient photovoltaic parameters by structural modification with benzothiophene-incorporated acceptors in dithiophene based chromophores. Scientifc Reports, v. 12, p. 1-15 art. 20148 , 2022Tradução . . Disponível em: https://doi.org/10.1038/s41598-022-24087-8. Acesso em: 28 jun. 2024.
APA
Khalid, M., Ahmed, R., shafq, I., Arshad, M., Asghar, M. A., Munawar, K. S., et al. (2022). First theoretical framework for highly efficient photovoltaic parameters by structural modification with benzothiophene-incorporated acceptors in dithiophene based chromophores. Scientifc Reports, 12, 1-15 art. 20148 . doi:10.1038/s41598-022-24087-8
NLM
Khalid M, Ahmed R, shafq I, Arshad M, Asghar MA, Munawar KS, Imran M, Braga AAC. First theoretical framework for highly efficient photovoltaic parameters by structural modification with benzothiophene-incorporated acceptors in dithiophene based chromophores [Internet]. Scientifc Reports. 2022 ; 12 1-15 art. 20148 .[citado 2024 jun. 28 ] Available from: https://doi.org/10.1038/s41598-022-24087-8
Vancouver
Khalid M, Ahmed R, shafq I, Arshad M, Asghar MA, Munawar KS, Imran M, Braga AAC. First theoretical framework for highly efficient photovoltaic parameters by structural modification with benzothiophene-incorporated acceptors in dithiophene based chromophores [Internet]. Scientifc Reports. 2022 ; 12 1-15 art. 20148 .[citado 2024 jun. 28 ] Available from: https://doi.org/10.1038/s41598-022-24087-8
Artigo de periodico
Exploration of photophysical and nonlinear properties of Salicylaldehyde-based functionalized materials: a facile synthetic and DFT approach (2021)
Imran, Muhammad; Khalid, Muhammad ; Jawaria, Rifat; Ali, Asif; Asghar, Muhammad Adnan; Shafiq, Zahid ; Assiri, Mohammed A; Lodhi, Hafiza Munazza; Braga, Ataualpa Albert Carmo
Source: ACS Omega. Unidade: IQ
Subjects: MOLÉCULA, ESPECTROSCOPIA, ÓPTICA NÃO LINEAR, GEOMETRIA E MODELAGEM COMPUTACIONAL
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ABNT
IMRAN, Muhammad et al. Exploration of photophysical and nonlinear properties of Salicylaldehyde-based functionalized materials: a facile synthetic and DFT approach. ACS Omega, v. 6, p. 33914−33922, 2021Tradução . . Disponível em: https://doi.org/10.1021/acsomega.1c04984. Acesso em: 28 jun. 2024.
APA
Imran, M., Khalid, M., Jawaria, R., Ali, A., Asghar, M. A., Shafiq, Z., et al. (2021). Exploration of photophysical and nonlinear properties of Salicylaldehyde-based functionalized materials: a facile synthetic and DFT approach. ACS Omega, 6, 33914−33922. doi:10.1021/acsomega.1c04984
NLM
Imran M, Khalid M, Jawaria R, Ali A, Asghar MA, Shafiq Z, Assiri MA, Lodhi HM, Braga AAC. Exploration of photophysical and nonlinear properties of Salicylaldehyde-based functionalized materials: a facile synthetic and DFT approach [Internet]. ACS Omega. 2021 ; 6 33914−33922.[citado 2024 jun. 28 ] Available from: https://doi.org/10.1021/acsomega.1c04984
Vancouver
Imran M, Khalid M, Jawaria R, Ali A, Asghar MA, Shafiq Z, Assiri MA, Lodhi HM, Braga AAC. Exploration of photophysical and nonlinear properties of Salicylaldehyde-based functionalized materials: a facile synthetic and DFT approach [Internet]. ACS Omega. 2021 ; 6 33914−33922.[citado 2024 jun. 28 ] Available from: https://doi.org/10.1021/acsomega.1c04984
Artigo de periodico
Synthesis and structural analysis of novel indole derivatives by XRD, spectroscopic and DFT studies (2020)
Tariq, Sobia; Raza, Abdul Rauf; Khalid, Muhammad; Rubab, Syeda Laila; Khan, Muhammad Usman; Ali, Akbar; Tahir, Muhammad Nawaz; Braga, Ataualpa Albert Carmo
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: DIFRAÇÃO POR RAIOS X, ALCALOIDES
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ABNT
TARIQ, Sobia et al. Synthesis and structural analysis of novel indole derivatives by XRD, spectroscopic and DFT studies. Journal of Molecular Structure, v. 1203, p. 1-15 art. 127438, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2019.127438. Acesso em: 28 jun. 2024.
APA
Tariq, S., Raza, A. R., Khalid, M., Rubab, S. L., Khan, M. U., Ali, A., et al. (2020). Synthesis and structural analysis of novel indole derivatives by XRD, spectroscopic and DFT studies. Journal of Molecular Structure, 1203, 1-15 art. 127438. doi:10.1016/j.molstruc.2019.127438
NLM
Tariq S, Raza AR, Khalid M, Rubab SL, Khan MU, Ali A, Tahir MN, Braga AAC. Synthesis and structural analysis of novel indole derivatives by XRD, spectroscopic and DFT studies [Internet]. Journal of Molecular Structure. 2020 ; 1203 1-15 art. 127438.[citado 2024 jun. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2019.127438
Vancouver
Tariq S, Raza AR, Khalid M, Rubab SL, Khan MU, Ali A, Tahir MN, Braga AAC. Synthesis and structural analysis of novel indole derivatives by XRD, spectroscopic and DFT studies [Internet]. Journal of Molecular Structure. 2020 ; 1203 1-15 art. 127438.[citado 2024 jun. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2019.127438
Artigo de periodico
Experimental and computational investigations of new indole derivatives: a combined spectroscopic, SC-XRD, DFT/TD-DFT and QTAIM analysis (2020)
Tariq, Sobia; Khalid, Muhammad ; Raza, Abdul Rauf; Rubab, Syeda Laila; Morais, Sara Figueirêdo de Alcântara ; Khan, Muhammad Usman ; Tahir, Muhammad Nawaz; Braga, Ataualpa Albert Carmo
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: ANÁLISE ESPECTROSCÓPICA, ALCALOIDES
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ABNT
TARIQ, Sobia et al. Experimental and computational investigations of new indole derivatives: a combined spectroscopic, SC-XRD, DFT/TD-DFT and QTAIM analysis. Journal of Molecular Structure, v. 1207, p. 1-16 art. 127803, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2020.127803. Acesso em: 28 jun. 2024.
APA
Tariq, S., Khalid, M., Raza, A. R., Rubab, S. L., Morais, S. F. de A., Khan, M. U., et al. (2020). Experimental and computational investigations of new indole derivatives: a combined spectroscopic, SC-XRD, DFT/TD-DFT and QTAIM analysis. Journal of Molecular Structure, 1207, 1-16 art. 127803. doi:10.1016/j.molstruc.2020.127803
NLM
Tariq S, Khalid M, Raza AR, Rubab SL, Morais SF de A, Khan MU, Tahir MN, Braga AAC. Experimental and computational investigations of new indole derivatives: a combined spectroscopic, SC-XRD, DFT/TD-DFT and QTAIM analysis [Internet]. Journal of Molecular Structure. 2020 ; 1207 1-16 art. 127803.[citado 2024 jun. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2020.127803
Vancouver
Tariq S, Khalid M, Raza AR, Rubab SL, Morais SF de A, Khan MU, Tahir MN, Braga AAC. Experimental and computational investigations of new indole derivatives: a combined spectroscopic, SC-XRD, DFT/TD-DFT and QTAIM analysis [Internet]. Journal of Molecular Structure. 2020 ; 1207 1-16 art. 127803.[citado 2024 jun. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2020.127803

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