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Inorganic Chemistry

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Theoretical and Computational Chemistry

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Khawar Ismail

2 results in Authors: Khawar Ismail

Inorganic Chemistry

Theoretical calculation of structural, electronic, magnetic, and thermoelectric properties of KMO2 (M = Sm3+, Tb3+, and Dy3+) oxides by ab initio method.

Khawar Ismail, Ayesha Parveen, Hassan Ali, Asim Ali, Ghulam Murtaza, Sayada Ayesha Zia Bukhari, Muhammad Sohail Abbas

Version 1 posted 11 July 2024

156

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Theoretical and Computational Chemistry

First-principles study of structural, electronic, optical, and thermoelectric properties of BaTmSe2 (TM = Fe, Co, and Ni) for optoelectronic devices

Sayada Ayesha Zia Bukhari, Khawar Ismail, Muhammad Anis Aslam, Adnan Ali Khan, Muhammad Sohail Abbas, Rashid Ahmad

Version 1 posted 01 July 2024

205

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