Efficient designing of half-moon-shaped chalcogen heterocycles as non-fullerene acceptors for organic solar cells
Mehboob, Muhammad Yasir, Hussain, Riaz, Khan, Muhammad Usman, Adnan, Muhammad, Alvi, Muhammad Usman, Yaqoob, Junaid, Khalid, Muhammad
Published in Journal of molecular modeling (01.05.2022)
Published in Journal of molecular modeling (01.05.2022)
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Halogen bond tunability I: the effects of aromatic fluorine substitution on the strengths of halogen-bonding interactions involving chlorine, bromine, and iodine
Riley, Kevin E., Murray, Jane S., Fanfrlík, Jindřich, Řezáč, Jan, Solá, Ricardo J., Concha, Monica C., Ramos, Felix M., Politzer, Peter
Published in Journal of molecular modeling (01.12.2011)
Published in Journal of molecular modeling (01.12.2011)
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Adsorption of adipic acid in Al/B-N/P nanocages: DFT investigations
Al-Otaibi, Jamelah S., Mary, Y. Sheena, Mary, Y. Shyma, Serdaroglu, Goncagül
Published in Journal of molecular modeling (25.03.2021)
Published in Journal of molecular modeling (25.03.2021)
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Nowotny-Juza phase KBeX (X = N, P, As, Sb, and Bi) half-Heusler compounds: applicability in photovoltaics and thermoelectric generators
Verma, Pallavi, Singh, Chandravir, Kamlesh, Peeyush Kumar, Kaur, Kulwinder, Verma, Ajay Singh
Published in Journal of molecular modeling (01.01.2023)
Published in Journal of molecular modeling (01.01.2023)
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Role of acceptor guests in tuning optoelectronic properties of benzothiadiazole core based non-fullerene acceptors for high-performance bulk-heterojunction organic solar cells
Mehboob, Muhammad Yasir, Hussain, Riaz, Irshad, Zobia, Adnan, Muhammad
Published in Journal of molecular modeling (01.08.2021)
Published in Journal of molecular modeling (01.08.2021)
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Revealing compatibility mechanism of nanosilica in asphalt through molecular dynamics simulation
Long, Zhengwu, Zhou, Sijia, Jiang, Shaoting, Ma, Wenbo, Ding, Yanhuai, You, Lingyun, Tang, Xianqiong, Xu, Fu
Published in Journal of molecular modeling (11.02.2021)
Published in Journal of molecular modeling (11.02.2021)
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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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