ReP USP - Resultado da busca

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: 27 nov. 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 nov. 27 ] 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 nov. 27 ] Available from: https://dx.doi.org/10.1039/d4ra08662g
Artigo de periodico
Enhancing the photovoltaic properties of phenylsulfonyl carbazole-based materials by incorporating a thiophene ring and end-capped acceptors for organic solar cells: a DFT approach (2025)
Khalid, Muhammad ; Amir, Laiba; Arshad, Muhammad; Shafiq, Iqra ; Braga, Ataualpa Albert Carmo ; Alrashidi, Khalid Abdullah
Source: RSC Advances. Unidade: IQ
Subjects: ENERGIA SOLAR, QUÍMICA QUÂNTICA, CÉLULAS SOLARES
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ABNT
KHALID, Muhammad et al. Enhancing the photovoltaic properties of phenylsulfonyl carbazole-based materials by incorporating a thiophene ring and end-capped acceptors for organic solar cells: a DFT approach. RSC Advances, v. 15, p. 5965–5976, 2025Tradução . . Disponível em: https://dx.doi.org/10.1039/D4RA06073C. Acesso em: 27 nov. 2025.
APA
Khalid, M., Amir, L., Arshad, M., Shafiq, I., Braga, A. A. C., & Alrashidi, K. A. (2025). Enhancing the photovoltaic properties of phenylsulfonyl carbazole-based materials by incorporating a thiophene ring and end-capped acceptors for organic solar cells: a DFT approach. RSC Advances, 15, 5965–5976. doi:10.1039/D4RA06073C
NLM
Khalid M, Amir L, Arshad M, Shafiq I, Braga AAC, Alrashidi KA. Enhancing the photovoltaic properties of phenylsulfonyl carbazole-based materials by incorporating a thiophene ring and end-capped acceptors for organic solar cells: a DFT approach [Internet]. RSC Advances. 2025 ; 15 5965–5976.[citado 2025 nov. 27 ] Available from: https://dx.doi.org/10.1039/D4RA06073C
Vancouver
Khalid M, Amir L, Arshad M, Shafiq I, Braga AAC, Alrashidi KA. Enhancing the photovoltaic properties of phenylsulfonyl carbazole-based materials by incorporating a thiophene ring and end-capped acceptors for organic solar cells: a DFT approach [Internet]. RSC Advances. 2025 ; 15 5965–5976.[citado 2025 nov. 27 ] Available from: https://dx.doi.org/10.1039/D4RA06073C
Artigo de periodico
Exploring the photovoltaic properties of naphthalene-1,5-diamine-based functionalized materials in aprotic polar medium: a combined experimental and DFT approach (2024)
Shafiq, Iqra ; Khalid, Muhammad ; Jawaria, Rifat; Shafiq, Zahid ; Murtaza, Shahzad; Braga, Ataualpa Albert Carmo
Source: RSC Advances. Unidade: IQ
Subjects: CÉLULAS SOLARES, ESPECTROSCOPIA
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ABNT
SHAFIQ, Iqra et al. Exploring the photovoltaic properties of naphthalene-1,5-diamine-based functionalized materials in aprotic polar medium: a combined experimental and DFT approach. RSC Advances, v. 14, n. 45, p. 33048–33060, 2024Tradução . . Disponível em: https://dx.doi.org/10.1039/d4ra03916e. Acesso em: 27 nov. 2025.
APA
Shafiq, I., Khalid, M., Jawaria, R., Shafiq, Z., Murtaza, S., & Braga, A. A. C. (2024). Exploring the photovoltaic properties of naphthalene-1,5-diamine-based functionalized materials in aprotic polar medium: a combined experimental and DFT approach. RSC Advances, 14( 45), 33048–33060. doi:10.1039/d4ra03916e
NLM
Shafiq I, Khalid M, Jawaria R, Shafiq Z, Murtaza S, Braga AAC. Exploring the photovoltaic properties of naphthalene-1,5-diamine-based functionalized materials in aprotic polar medium: a combined experimental and DFT approach [Internet]. RSC Advances. 2024 ; 14( 45): 33048–33060.[citado 2025 nov. 27 ] Available from: https://dx.doi.org/10.1039/d4ra03916e
Vancouver
Shafiq I, Khalid M, Jawaria R, Shafiq Z, Murtaza S, Braga AAC. Exploring the photovoltaic properties of naphthalene-1,5-diamine-based functionalized materials in aprotic polar medium: a combined experimental and DFT approach [Internet]. RSC Advances. 2024 ; 14( 45): 33048–33060.[citado 2025 nov. 27 ] Available from: https://dx.doi.org/10.1039/d4ra03916e
Artigo de periodico
Influence of acceptors on the optical nonlinearity of 5H-4-oxa-1,6,9-trithia-cyclopenta[b]-as-indacene-based chromophores with a push–pull assembly: a DFT approach (2024)
Khalid, Muhammad ; Murtaza, Shahzad; Gull, Khansa; Abid, Saba; Imran, Muhammad ; Braga, Ataualpa Albert Carmo
Source: RSC Advances. Unidade: IQ
Subjects: ÓPTICA NÃO LINEAR, FIBRA ÓPTICA
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ABNT
KHALID, Muhammad et al. Influence of acceptors on the optical nonlinearity of 5H-4-oxa-1,6,9-trithia-cyclopenta[b]-as-indacene-based chromophores with a push–pull assembly: a DFT approach. RSC Advances, v. 14, p. 1169–1185, 2024Tradução . . Disponível em: https://dx.doi.org/10.1039/d3ra06673h. Acesso em: 27 nov. 2025.
APA
Khalid, M., Murtaza, S., Gull, K., Abid, S., Imran, M., & Braga, A. A. C. (2024). Influence of acceptors on the optical nonlinearity of 5H-4-oxa-1,6,9-trithia-cyclopenta[b]-as-indacene-based chromophores with a push–pull assembly: a DFT approach. RSC Advances, 14, 1169–1185. doi:10.1039/d3ra06673h
NLM
Khalid M, Murtaza S, Gull K, Abid S, Imran M, Braga AAC. Influence of acceptors on the optical nonlinearity of 5H-4-oxa-1,6,9-trithia-cyclopenta[b]-as-indacene-based chromophores with a push–pull assembly: a DFT approach [Internet]. RSC Advances. 2024 ; 14 1169–1185.[citado 2025 nov. 27 ] Available from: https://dx.doi.org/10.1039/d3ra06673h
Vancouver
Khalid M, Murtaza S, Gull K, Abid S, Imran M, Braga AAC. Influence of acceptors on the optical nonlinearity of 5H-4-oxa-1,6,9-trithia-cyclopenta[b]-as-indacene-based chromophores with a push–pull assembly: a DFT approach [Internet]. RSC Advances. 2024 ; 14 1169–1185.[citado 2025 nov. 27 ] Available from: https://dx.doi.org/10.1039/d3ra06673h
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
Source: RSC Advances. Unidade: IQ
Subjects: CÉLULAS SOLARES, ORBITAL MOLECULAR
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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: 27 nov. 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 nov. 27 ] 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 nov. 27 ] Available from: https://dx.doi.org/10.1039/d4ra03170a
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: 27 nov. 2025.
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 2025 nov. 27 ] 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 2025 nov. 27 ] Available from: https://doi.org/10.1039/d2ra07134g
Artigo de periodico
Synthesis, nonlinear optical analysis and DFT studies of D–π–D and A–π–A configured Schiff bases derived from bis-phenylenediamine (2022)
Farooq, Rabia; Batool, Zahra; Khalid, Muhammad; Khan, Muhammad Usman ; Braga, Ataualpa Albert Carmo ; Ragab, Ahmed H; Al-Mhyawi, Saedah R ; Muhammad, Gulzar ; Shafiq, Zahid
Source: RSC Advances. Unidade: IQ
Subjects: ANÁLISE ÓTICA, COMPOSTOS ORGÂNICOS
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ABNT
FAROOQ, Rabia et al. Synthesis, nonlinear optical analysis and DFT studies of D–π–D and A–π–A configured Schiff bases derived from bis-phenylenediamine. RSC Advances, v. 12, p. 32185–32196, 2022Tradução . . Disponível em: https://doi.org/10.1039/d2ra05844h. Acesso em: 27 nov. 2025.
APA
Farooq, R., Batool, Z., Khalid, M., Khan, M. U., Braga, A. A. C., Ragab, A. H., et al. (2022). Synthesis, nonlinear optical analysis and DFT studies of D–π–D and A–π–A configured Schiff bases derived from bis-phenylenediamine. RSC Advances, 12, 32185–32196. doi:10.1039/d2ra05844h
NLM
Farooq R, Batool Z, Khalid M, Khan MU, Braga AAC, Ragab AH, Al-Mhyawi SR, Muhammad G, Shafiq Z. Synthesis, nonlinear optical analysis and DFT studies of D–π–D and A–π–A configured Schiff bases derived from bis-phenylenediamine [Internet]. RSC Advances. 2022 ; 12 32185–32196.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1039/d2ra05844h
Vancouver
Farooq R, Batool Z, Khalid M, Khan MU, Braga AAC, Ragab AH, Al-Mhyawi SR, Muhammad G, Shafiq Z. Synthesis, nonlinear optical analysis and DFT studies of D–π–D and A–π–A configured Schiff bases derived from bis-phenylenediamine [Internet]. RSC Advances. 2022 ; 12 32185–32196.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1039/d2ra05844h
Artigo de periodico
First theoretical probe for efficient enhancement of optical nonlinearity via structural modifications into phenylene based D–π–A configured molecules (2022)
Khalid, Muhammad ; Naz, Salma; Mahmood, Khalid; Hussain, Shabbir ; Braga, Ataualpa Albert Carmo ; Hussain, Riaz ; Ragab, Ahmed H; Al-Mhyawi, Saedah R.
Source: RSC Advances. Unidade: IQ
Subjects: MATERIAIS ÓPTICOS, COMPOSTOS ORGÂNICOS
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ABNT
KHALID, Muhammad et al. First theoretical probe for efficient enhancement of optical nonlinearity via structural modifications into phenylene based D–π–A configured molecules. RSC Advances, v. 12, p. 31192–31204 : + Supplentary materials ( S1-S47), 2022Tradução . . Disponível em: https://doi.org/10.1039/d2ra04844b. Acesso em: 27 nov. 2025.
APA
Khalid, M., Naz, S., Mahmood, K., Hussain, S., Braga, A. A. C., Hussain, R., et al. (2022). First theoretical probe for efficient enhancement of optical nonlinearity via structural modifications into phenylene based D–π–A configured molecules. RSC Advances, 12, 31192–31204 : + Supplentary materials ( S1-S47). doi:10.1039/d2ra04844b
NLM
Khalid M, Naz S, Mahmood K, Hussain S, Braga AAC, Hussain R, Ragab AH, Al-Mhyawi SR. First theoretical probe for efficient enhancement of optical nonlinearity via structural modifications into phenylene based D–π–A configured molecules [Internet]. RSC Advances. 2022 ; 12 31192–31204 : + Supplentary materials ( S1-S47).[citado 2025 nov. 27 ] Available from: https://doi.org/10.1039/d2ra04844b
Vancouver
Khalid M, Naz S, Mahmood K, Hussain S, Braga AAC, Hussain R, Ragab AH, Al-Mhyawi SR. First theoretical probe for efficient enhancement of optical nonlinearity via structural modifications into phenylene based D–π–A configured molecules [Internet]. RSC Advances. 2022 ; 12 31192–31204 : + Supplentary materials ( S1-S47).[citado 2025 nov. 27 ] Available from: https://doi.org/10.1039/d2ra04844b

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