Inclusive DFT insight into sensing mechanism of cyclotetrapyrole towards lung irritants von Ullah, Saif, Sadia, Haleema, Ullah, Faizan, Jadoon, Tabish

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Silver-graphene quantum dots based electrochemical sensor for trinitrotoluene and p-nitrophenol von Jadoon, Tabish, Mahmood, Tariq, Ayub, Khurshid

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M@[12-crown-4] and M@[15-crown-5] where (M=Li, Na, and K); the very first examples of non-conventional one alkali metal-containing alkalides with remarkable static and dynamic NLO... von Ahsin, Atazaz, Jadoon, Tabish, Ayub, Khurshid

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DFT study on the sensitivity of silver-graphene quantum dots for vital and harmful analytes von Jadoon, Tabish, Mahmood, Tariq, Ayub, Khurshid

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Adsorption mechanism of p- aminophenol over silver-graphene composite: A first principles study von Jadoon, Tabish, Ahsin, Atazaz, Ullah, Faizan, Mahmood, Tariq, Ayub, Khurshid

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Silver cluster (Ag6) decorated coronene as non-enzymatic sensor for glucose and H2O2 von Jadoon, Tabish, Mahmood, Tariq, Ayub, Khurshid

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DFT study about capturing of toxic sulfur gases over cyclic tetrapyrrole von Sadia, Haleema, Ullah, Saif, Ullah, Faizan, Jadoon, Tabish

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Two state "ON-OFF" NLO switch based on coordination complexes of iron and cobalt containing isomeric ligand: a DFT study von Bibi, Tamseela, Jadoon, Tabish, Ayub, Khurshid

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Silver cluster decorated graphene nanoflakes for selective and accurate detection of nitroaniline isomers; DFT calculations von Jadoon, Tabish, Ullah, Faizan, Mahmood, Tariq, Ayub, Khurshid

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Second-order NLO properties and two-state switching effects of transition metal redox complexes of iron and cobalt: A DFT study von Bibi, Tamseela, Jadoon, Tabish, Muhammad, Shabbir, Ayub, Khurshid

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Silver clusters tune up electronic properties of graphene nanoflakes: A comprehensive theoretical study von Jadoon, Tabish, Carter-Fenk, Kevin, Siddique, Muhammad Bilal Ahmed, Herbert, John M., Hussain, Riaz, Iqbal, Sarosh, Iqbal, Javed, Ayub, Khurshid

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Silver cluster (Ag 6 ) decorated coronene as non-enzymatic sensor for glucose and H 2 O 2 von Jadoon, Tabish, Mahmood, Tariq, Ayub, Khurshid

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Exploring hydrogen storage capabilities of boron nitride nanoring through density functional theory von Ahmed, Qazi Muhammad, Sultan, Adil, Abrar, Ayesha, Arshad, Farrah, Shahzad, Nasir, Ayub, Khurshid, Jadoon, Tabish, Ullah, Faizan

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