Enriching the compositional tailoring of NLO responsive dyes with diversity oriented electron acceptors as visible light harvesters: a DFT/TD-DFT approach
Hassan, Abrar U., Sumrra, Sajjad H., Zafar, Wardha, Imran, Muhammad, Noreen, Sadaf, Irfan, Muhammad
Published in Molecular physics (02.01.2023)
Published in Molecular physics (02.01.2023)
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Journal Article
Efficient and tunable enhancement of NLO performance for indaceno-based donor moiety in A-π-D-π-D-π-A type first DSSC design by end-capped acceptors
Hassan, Abrar U., Sumrra, Sajjad H., Mustafa, Ghulam, Nazar, Muhammad F., Zafar, Muhammad N.
Published in Journal of molecular modeling (01.01.2023)
Published in Journal of molecular modeling (01.01.2023)
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Journal Article
Correlating the charge density and structural fabrication of new organic dyes to create visible light harvesting materials with tunable NLO refining: insights from DFT
Hassan, Abrar U., Sumrra, Sajjad H., Zubair, Muhammad, Mustafa, Ghulam, Noreen, Sadaf, Imran, Muhammad
Published in Chemical papers (01.10.2023)
Published in Chemical papers (01.10.2023)
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Journal Article
A review: Pharmacological aspects of metal based 1,2,4-triazole derived Schiff bases
Zafar, Wardha, Sumrra, Sajjad H., Chohan, Zahid H.
Published in European journal of medicinal chemistry (15.10.2021)
Published in European journal of medicinal chemistry (15.10.2021)
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Journal Article
Synthesis, Spectroscopic and Nonlinear Optical Properties, and Antimicrobial Activity of Cu(II), Co(II), and Ni(II) Complexes: Experimental and Theoretical Studies
Hussain, Riaz, Rubab, Syed Laila, Maryam, Afifa, Ashraf, Tuba, Arshad, Muhammad, Lal, Kiran, Sumrra, Sajjad H., Ashraf, Shafaq, Ali, Bakhat
Published in ACS omega (14.11.2023)
Published in ACS omega (14.11.2023)
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Journal Article
Digera muricata (L.) Mart. mediated synthesis of antimicrobial and enzymatic inhibitory zinc oxide bionanoparticles
Ashraf, Naheed, Sumrra, Sajjad H., Assiri, Mohammed A., Usman, Muhammad, Hussain, Riaz, Aziz, Farooq, Hussain, Ajaz, Ghaffari, Muhammad Abuzar, Qaisar, Muhammad Naeem, Imran, Muhammad, Irfan, Ahmad
Published in Green processing and synthesis (06.08.2021)
Published in Green processing and synthesis (06.08.2021)
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Journal Article
Theoretical calculations of nonlinear optical responses for interpreting nonconjugated molecular systems to affect non-optimal properties
Güleryüz, Cihat, Sumrra, Sajjad H., Mohyuddin, Ayesha, Hassan, Abrar U., Dahshan, Alaa
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.02.2025)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.02.2025)
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Journal Article
Metal based biologically active compounds: Design, synthesis, and antibacterial/antifungal/cytotoxic properties of triazole-derived Schiff bases and their oxovanadium(IV) complexes
Chohan, Zahid H., Sumrra, Sajjad H., Youssoufi, Moulay H., Hadda, Taibi B.
Published in European journal of medicinal chemistry (01.07.2010)
Published in European journal of medicinal chemistry (01.07.2010)
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Journal Article
Enhancing NLO performance by utilizing tyrian purple dye as donor moiety in organic DSSCs with end capped acceptors: A theoretical study
Hassan, Abrar U., Sumrra, Sajjad H., Mustafa, Ghulam, Noreen, Sadaf, Ali, Asad, Sara, Syeda, Imran, Muhammad
Published in Journal of molecular graphics & modelling (01.11.2023)
Published in Journal of molecular graphics & modelling (01.11.2023)
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Journal Article
Structurally modulated D-π-D-A(Semiconductor) anchoring dyes to enhance the tunable NLO response: a DFT/TDDFT quest for new photovoltaic materials
Hassan, Abrar U., Sumrra, Sajjad H., Zubair, Muhammad, Mustafa, Ghulam, Nazar, Muhammad F., Zafar, Muhammad N.
Published in Structural chemistry (01.06.2023)
Published in Structural chemistry (01.06.2023)
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Journal Article
DFT-guided structural modeling of end-group acceptors at Y123 core for sensitizers as high-performance organic solar dyes and NLO responses
Hassan, Abrar U., Sumrra, Sajjad H., Zafar, Muddassar, Mohyuddin, Ayesha, Noreen, Sadaf, Güleryüz, Cihat
Published in Journal of molecular modeling (01.08.2023)
Published in Journal of molecular modeling (01.08.2023)
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Journal Article
Molecular modeling of mordant black dye for future applications as visible light harvesting materials with anchors: design and excited state dynamics
Hassan, Abrar U., Sumrra, Sajjad H., Mustafa, Ghulam, Zubair, Muhammad, Mohyuddin, Abrar, Nkungli, Nyiang K., Imran, Muhammad
Published in Journal of molecular modeling (01.03.2023)
Published in Journal of molecular modeling (01.03.2023)
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