ReP USP - Resultado da busca

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
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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: 01 maio 2024.
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 2024 maio 01 ] 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 2024 maio 01 ] Available from: https://doi.org/10.3390/polym15061508
Artigo de periodico
Casting light on synthetic, SC-XRD and quantum mechanical studies for 2,1-benzothiazine based bis-adducts (2023)
Ahmad, Shakeel; Ahmad, Matloob ; Khalid, Muhammad ; Shafiq, Muhammad; Arshad, Muhammad Nadeem ; Sultan, Sadia; Asiri, Abdullah M ; Braga, Ataualpa Albert Carmo ; Alamry, Khalid A
Source: Journal of Molecular Structure. Unidade: IQ
Assunto: MECÂNICA QUÂNTICA
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ABNT
AHMAD, Shakeel et al. Casting light on synthetic, SC-XRD and quantum mechanical studies for 2,1-benzothiazine based bis-adducts. Journal of Molecular Structure, v. 1272, p. 1-11, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2022.134193. Acesso em: 01 maio 2024.
APA
Ahmad, S., Ahmad, M., Khalid, M., Shafiq, M., Arshad, M. N., Sultan, S., et al. (2023). Casting light on synthetic, SC-XRD and quantum mechanical studies for 2,1-benzothiazine based bis-adducts. Journal of Molecular Structure, 1272, 1-11. doi:10.1016/j.molstruc.2022.134193
NLM
Ahmad S, Ahmad M, Khalid M, Shafiq M, Arshad MN, Sultan S, Asiri AM, Braga AAC, Alamry KA. Casting light on synthetic, SC-XRD and quantum mechanical studies for 2,1-benzothiazine based bis-adducts [Internet]. Journal of Molecular Structure. 2023 ; 1272 1-11.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134193
Vancouver
Ahmad S, Ahmad M, Khalid M, Shafiq M, Arshad MN, Sultan S, Asiri AM, Braga AAC, Alamry KA. Casting light on synthetic, SC-XRD and quantum mechanical studies for 2,1-benzothiazine based bis-adducts [Internet]. Journal of Molecular Structure. 2023 ; 1272 1-11.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134193
Artigo de periodico
Synthesis, spectroscopic, SC-XRD/DFT and nonlinear optical (NLO) properties of chromene derivatives (2023)
Arif, Nadia; Shafiq, Zahid ; Noureen, Sajida; Khalid, Muhammad ; Ashraf, Abida; Yaqub, Muhammad; Irshad, Shabana; Khan, Muhammad Usman ; Arshad, Muhammad Nadeem ; Braga, Ataualpa Albert Carmo ; Ragab, Ahmed H; Al-Mhyawi, Saedah R
Source: RSC Advances. Unidade: IQ
Subjects: ESPECTROSCOPIA, ÓPTICA NÃO LINEAR
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ABNT
ARIF, Nadia et al. Synthesis, spectroscopic, SC-XRD/DFT and nonlinear optical (NLO) properties of chromene derivatives. RSC Advances, v. 13, n. 1, p. 464-477, 2023Tradução . . Disponível em: https://doi.org/10.1039/d2ra07134g. Acesso em: 01 maio 2024.
APA
Arif, N., Shafiq, Z., Noureen, S., Khalid, M., Ashraf, A., Yaqub, M., et al. (2023). Synthesis, spectroscopic, SC-XRD/DFT and nonlinear optical (NLO) properties of chromene derivatives. RSC Advances, 13( 1), 464-477. doi:10.1039/d2ra07134g
NLM
Arif N, Shafiq Z, Noureen S, Khalid M, Ashraf A, Yaqub M, Irshad S, Khan MU, Arshad MN, Braga AAC, Ragab AH, Al-Mhyawi SR. Synthesis, spectroscopic, SC-XRD/DFT and nonlinear optical (NLO) properties of chromene derivatives [Internet]. RSC Advances. 2023 ; 13( 1): 464-477.[citado 2024 maio 01 ] Available from: https://doi.org/10.1039/d2ra07134g
Vancouver
Arif N, Shafiq Z, Noureen S, Khalid M, Ashraf A, Yaqub M, Irshad S, Khan MU, Arshad MN, Braga AAC, Ragab AH, Al-Mhyawi SR. Synthesis, spectroscopic, SC-XRD/DFT and nonlinear optical (NLO) properties of chromene derivatives [Internet]. RSC Advances. 2023 ; 13( 1): 464-477.[citado 2024 maio 01 ] Available from: https://doi.org/10.1039/d2ra07134g
Artigo de periodico
Experimental and quantum chemical approaches for Hydrazide-based crystalline organic chromophores: synthesis, SC-XRD, spectroscopic and nonlinear optical properties (2023)
Kausar, Naghmana ; Murtaza, Shahzad ; Khalid, Muhammad; Shoukat, Uzma; Asad, Mehwish; Arshad, Muhammad Nadeem ; Asiri, Abdullah M ; Braga, Ataualpa Albert Carmo
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: COMPOSTOS ORGÂNICOS, QUÍMICA QUÂNTICA
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ABNT
KAUSAR, Naghmana et al. Experimental and quantum chemical approaches for Hydrazide-based crystalline organic chromophores: synthesis, SC-XRD, spectroscopic and nonlinear optical properties. Journal of Molecular Structure, v. 1272, p. 1-14 art. 134208, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2022.134208. Acesso em: 01 maio 2024.
APA
Kausar, N., Murtaza, S., Khalid, M., Shoukat, U., Asad, M., Arshad, M. N., et al. (2023). Experimental and quantum chemical approaches for Hydrazide-based crystalline organic chromophores: synthesis, SC-XRD, spectroscopic and nonlinear optical properties. Journal of Molecular Structure, 1272, 1-14 art. 134208. doi:10.1016/j.molstruc.2022.134208
NLM
Kausar N, Murtaza S, Khalid M, Shoukat U, Asad M, Arshad MN, Asiri AM, Braga AAC. Experimental and quantum chemical approaches for Hydrazide-based crystalline organic chromophores: synthesis, SC-XRD, spectroscopic and nonlinear optical properties [Internet]. Journal of Molecular Structure. 2023 ; 1272 1-14 art. 134208.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134208
Vancouver
Kausar N, Murtaza S, Khalid M, Shoukat U, Asad M, Arshad MN, Asiri AM, Braga AAC. Experimental and quantum chemical approaches for Hydrazide-based crystalline organic chromophores: synthesis, SC-XRD, spectroscopic and nonlinear optical properties [Internet]. Journal of Molecular Structure. 2023 ; 1272 1-14 art. 134208.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134208
Artigo de periodico
Influence of peripheral modification of electron acceptors in nonfullerene (O-IDTBR1)-based derivatives on nonlinear optical response: DFT/TDDFT study (2022)
Arshad, Muhammad Nadeem ; Khalid, Muhammad ; Asad, Mohammad; Braga, Ataualpa Albert Carmo ; Asiri, Abdullah M ; Alotaibi, Maha M
Source: ACS Omega. Unidade: IQ
Subjects: MOLÉCULA, ÓPTICA, COMPOSTOS ORGÂNICOS
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ABNT
ARSHAD, Muhammad Nadeem et al. Influence of peripheral modification of electron acceptors in nonfullerene (O-IDTBR1)-based derivatives on nonlinear optical response: DFT/TDDFT study. ACS Omega, v. 7, p. 11631−11642, 2022Tradução . . Disponível em: https://doi.org/10.1021/acsomega.1c06320. Acesso em: 01 maio 2024.
APA
Arshad, M. N., Khalid, M., Asad, M., Braga, A. A. C., Asiri, A. M., & Alotaibi, M. M. (2022). Influence of peripheral modification of electron acceptors in nonfullerene (O-IDTBR1)-based derivatives on nonlinear optical response: DFT/TDDFT study. ACS Omega, 7, 11631−11642. doi:10.1021/acsomega.1c06320
NLM
Arshad MN, Khalid M, Asad M, Braga AAC, Asiri AM, Alotaibi MM. Influence of peripheral modification of electron acceptors in nonfullerene (O-IDTBR1)-based derivatives on nonlinear optical response: DFT/TDDFT study [Internet]. ACS Omega. 2022 ; 7 11631−11642.[citado 2024 maio 01 ] Available from: https://doi.org/10.1021/acsomega.1c06320
Vancouver
Arshad MN, Khalid M, Asad M, Braga AAC, Asiri AM, Alotaibi MM. Influence of peripheral modification of electron acceptors in nonfullerene (O-IDTBR1)-based derivatives on nonlinear optical response: DFT/TDDFT study [Internet]. ACS Omega. 2022 ; 7 11631−11642.[citado 2024 maio 01 ] Available from: https://doi.org/10.1021/acsomega.1c06320
Artigo de periodico
Enriching NLO efficacy via designing non-fullerene molecules with the modification of acceptor moieties into ICIF2F: an emerging theoretical approach (2022)
Khalid, Muhammad ; Arshad, Muhammad Nadeem ; Murtaza, Shahzad ; Shafiq, Iqra ; Haroon, Muhammad; Asiri, Abdullah M ; Morais, Sara Figueirêdo de Alcântara ; Braga, Ataualpa Albert Carmo
Source: RSC-advances. Unidade: IQ
Subjects: MATERIAIS ÓPTICOS, FIBRA ÓPTICA
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ABNT
KHALID, Muhammad et al. Enriching NLO efficacy via designing non-fullerene molecules with the modification of acceptor moieties into ICIF2F: an emerging theoretical approach. RSC-advances, v. 12, p. 13412–13427, 2022Tradução . . Disponível em: https://doi.org/10.1039/d2ra01127a. Acesso em: 01 maio 2024.
APA
Khalid, M., Arshad, M. N., Murtaza, S., Shafiq, I., Haroon, M., Asiri, A. M., et al. (2022). Enriching NLO efficacy via designing non-fullerene molecules with the modification of acceptor moieties into ICIF2F: an emerging theoretical approach. RSC-advances, 12, 13412–13427. doi:10.1039/d2ra01127a
NLM
Khalid M, Arshad MN, Murtaza S, Shafiq I, Haroon M, Asiri AM, Morais SF de A, Braga AAC. Enriching NLO efficacy via designing non-fullerene molecules with the modification of acceptor moieties into ICIF2F: an emerging theoretical approach [Internet]. RSC-advances. 2022 ; 12 13412–13427.[citado 2024 maio 01 ] Available from: https://doi.org/10.1039/d2ra01127a
Vancouver
Khalid M, Arshad MN, Murtaza S, Shafiq I, Haroon M, Asiri AM, Morais SF de A, Braga AAC. Enriching NLO efficacy via designing non-fullerene molecules with the modification of acceptor moieties into ICIF2F: an emerging theoretical approach [Internet]. RSC-advances. 2022 ; 12 13412–13427.[citado 2024 maio 01 ] Available from: https://doi.org/10.1039/d2ra01127a
Artigo de periodico
Donor moieties with D–π–a framing modulated electronic and nonlinear optical properties for nonfullerene- based chromophores (2022)
Arshad, Muhammad Nadeem; Khalid, Muhammad ; shabbir, Ghulam; Mohammad Asad; Asiri, Abdullah M ; Alotaibi, Maha M; Braga, Ataualpa Albert Carmo ; Khan, Anish
Source: RSC Advances. Unidade: IQ
Subjects: FULERENO, QUÍMICA QUÂNTICA
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ABNT
ARSHAD, Muhammad Nadeem et al. Donor moieties with D–π–a framing modulated electronic and nonlinear optical properties for nonfullerene- based chromophores. RSC Advances, v. 12, n. 7, p. 4209–4223, 2022Tradução . . Disponível em: https://doi.org/10.1039/d1ra07183a. Acesso em: 01 maio 2024.
APA
Arshad, M. N., Khalid, M., shabbir, G., Mohammad Asad,, Asiri, A. M., Alotaibi, M. M., et al. (2022). Donor moieties with D–π–a framing modulated electronic and nonlinear optical properties for nonfullerene- based chromophores. RSC Advances, 12( 7), 4209–4223. doi:10.1039/d1ra07183a
NLM
Arshad MN, Khalid M, shabbir G, Mohammad Asad, Asiri AM, Alotaibi MM, Braga AAC, Khan A. Donor moieties with D–π–a framing modulated electronic and nonlinear optical properties for nonfullerene- based chromophores [Internet]. RSC Advances. 2022 ; 12( 7): 4209–4223.[citado 2024 maio 01 ] Available from: https://doi.org/10.1039/d1ra07183a
Vancouver
Arshad MN, Khalid M, shabbir G, Mohammad Asad, Asiri AM, Alotaibi MM, Braga AAC, Khan A. Donor moieties with D–π–a framing modulated electronic and nonlinear optical properties for nonfullerene- based chromophores [Internet]. RSC Advances. 2022 ; 12( 7): 4209–4223.[citado 2024 maio 01 ] Available from: https://doi.org/10.1039/d1ra07183a
Artigo de periodico
Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies (2020)
Asad, Mohammad; Arshad, Muhammad Nadeem; Khan, Salman A; Oves, Mohammad; Khalid, Muhammad; Asiri, Abdullah M; Braga, Ataualpa Albert Carmo
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: CALCOGÊNIOS, COMPOSTOS HETEROCÍCLICOS
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ABNT
ASAD, Mohammad et al. Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies. Journal of Molecular Structure, v. 1201, p. 1-14 art. 127186, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2019.127186. Acesso em: 01 maio 2024.
APA
Asad, M., Arshad, M. N., Khan, S. A., Oves, M., Khalid, M., Asiri, A. M., & Braga, A. A. C. (2020). Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies. Journal of Molecular Structure, 1201, 1-14 art. 127186. doi:10.1016/j.molstruc.2019.127186
NLM
Asad M, Arshad MN, Khan SA, Oves M, Khalid M, Asiri AM, Braga AAC. Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies [Internet]. Journal of Molecular Structure. 2020 ; 1201 1-14 art. 127186.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2019.127186
Vancouver
Asad M, Arshad MN, Khan SA, Oves M, Khalid M, Asiri AM, Braga AAC. Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies [Internet]. Journal of Molecular Structure. 2020 ; 1201 1-14 art. 127186.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2019.127186
Artigo de periodico
A potent synthesis and supramolecular synthon hierarchy percipience of (E)-Nʹ-(Napthalen-1-yl-methylene)-benzenesulfonohydrazide and 1-Napthaldehyde: A combined experimental and DFT studies (2020)
Arshad, Muhammad Nadeem; Hussain, Mohammad Musarraf; Asiri, Abdullah M; Khalid, Muhammad ; Braga, Ataualpa Albert Carmo ; Rahman, Mohammad M
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: SULFONAMIDAS, INFECÇÕES BACTERIANAS, ALDEÍDOS
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ABNT
ARSHAD, Muhammad Nadeem et al. A potent synthesis and supramolecular synthon hierarchy percipience of (E)-Nʹ-(Napthalen-1-yl-methylene)-benzenesulfonohydrazide and 1-Napthaldehyde: A combined experimental and DFT studies. Journal of Molecular Structure, v. 1221, p. 1-8 art. 128797, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2020.128797. Acesso em: 01 maio 2024.
APA
Arshad, M. N., Hussain, M. M., Asiri, A. M., Khalid, M., Braga, A. A. C., & Rahman, M. M. (2020). A potent synthesis and supramolecular synthon hierarchy percipience of (E)-Nʹ-(Napthalen-1-yl-methylene)-benzenesulfonohydrazide and 1-Napthaldehyde: A combined experimental and DFT studies. Journal of Molecular Structure, 1221, 1-8 art. 128797. doi:10.1016/j.molstruc.2020.128797
NLM
Arshad MN, Hussain MM, Asiri AM, Khalid M, Braga AAC, Rahman MM. A potent synthesis and supramolecular synthon hierarchy percipience of (E)-Nʹ-(Napthalen-1-yl-methylene)-benzenesulfonohydrazide and 1-Napthaldehyde: A combined experimental and DFT studies [Internet]. Journal of Molecular Structure. 2020 ; 1221 1-8 art. 128797.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2020.128797
Vancouver
Arshad MN, Hussain MM, Asiri AM, Khalid M, Braga AAC, Rahman MM. A potent synthesis and supramolecular synthon hierarchy percipience of (E)-Nʹ-(Napthalen-1-yl-methylene)-benzenesulfonohydrazide and 1-Napthaldehyde: A combined experimental and DFT studies [Internet]. Journal of Molecular Structure. 2020 ; 1221 1-8 art. 128797.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2020.128797
Artigo de periodico
Synthesis, spectroscopic, single crystal diffraction and potential nonlinear optical properties of novel pyrazoline derivatives: Interplay of experimental and computational analyses (2018)
Arshad, Muhammad Nadeem; Birinji, Abdulhadi Salih; Khalid, Muhammad; Asiri, Abdullah M; Al-Amry, Khalid A; Aqlan, Faisal M. S; Braga, Ataualpa Albert Carmo
Source: Spectrochimica Acta A. Unidade: IQ
Subjects: ORBITAL MOLECULAR, ESPECTROSCOPIA MOLECULAR
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ABNT
ARSHAD, Muhammad Nadeem et al. Synthesis, spectroscopic, single crystal diffraction and potential nonlinear optical properties of novel pyrazoline derivatives: Interplay of experimental and computational analyses. Spectrochimica Acta A, v. 202, p. 146-158, 2018Tradução . . Disponível em: https://doi.org/10.1016/j.saa.2018.04.069. Acesso em: 01 maio 2024.
APA
Arshad, M. N., Birinji, A. S., Khalid, M., Asiri, A. M., Al-Amry, K. A., Aqlan, F. M. S., & Braga, A. A. C. (2018). Synthesis, spectroscopic, single crystal diffraction and potential nonlinear optical properties of novel pyrazoline derivatives: Interplay of experimental and computational analyses. Spectrochimica Acta A, 202, 146-158. doi:10.1016/j.saa.2018.04.069
NLM
Arshad MN, Birinji AS, Khalid M, Asiri AM, Al-Amry KA, Aqlan FMS, Braga AAC. Synthesis, spectroscopic, single crystal diffraction and potential nonlinear optical properties of novel pyrazoline derivatives: Interplay of experimental and computational analyses [Internet]. Spectrochimica Acta A. 2018 ; 202 146-158.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.saa.2018.04.069
Vancouver
Arshad MN, Birinji AS, Khalid M, Asiri AM, Al-Amry KA, Aqlan FMS, Braga AAC. Synthesis, spectroscopic, single crystal diffraction and potential nonlinear optical properties of novel pyrazoline derivatives: Interplay of experimental and computational analyses [Internet]. Spectrochimica Acta A. 2018 ; 202 146-158.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.saa.2018.04.069
Artigo de periodico
Synthesis, crystal structures, spectroscopic and nonlinear optical properties of chalcone derivatives: a combined experimental and theoretical study (2017)
Arshad, Muhammad Nadeem; Al-Dies, Al-Anood M; Asiri, Abdullah M; khalid, Muhammad; Birinji, Abdulhadi Salih; Al-Amry, Khalid A; Braga, Ataualpa Albert Carmo
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: ESPECTROSCOPIA, ALDEÍDOS
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ABNT
ARSHAD, Muhammad Nadeem et al. Synthesis, crystal structures, spectroscopic and nonlinear optical properties of chalcone derivatives: a combined experimental and theoretical study. Journal of Molecular Structure, v. 1141, p. 142-156, 2017Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2017.03.090. Acesso em: 01 maio 2024.
APA
Arshad, M. N., Al-Dies, A. -A. M., Asiri, A. M., khalid, M., Birinji, A. S., Al-Amry, K. A., & Braga, A. A. C. (2017). Synthesis, crystal structures, spectroscopic and nonlinear optical properties of chalcone derivatives: a combined experimental and theoretical study. Journal of Molecular Structure, 1141, 142-156. doi:10.1016/j.molstruc.2017.03.090
NLM
Arshad MN, Al-Dies A-AM, Asiri AM, khalid M, Birinji AS, Al-Amry KA, Braga AAC. Synthesis, crystal structures, spectroscopic and nonlinear optical properties of chalcone derivatives: a combined experimental and theoretical study [Internet]. Journal of Molecular Structure. 2017 ; 1141 142-156.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2017.03.090
Vancouver
Arshad MN, Al-Dies A-AM, Asiri AM, khalid M, Birinji AS, Al-Amry KA, Braga AAC. Synthesis, crystal structures, spectroscopic and nonlinear optical properties of chalcone derivatives: a combined experimental and theoretical study [Internet]. Journal of Molecular Structure. 2017 ; 1141 142-156.[citado 2024 maio 01 ] Available from: https://doi.org/10.1016/j.molstruc.2017.03.090

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