Khalil RMA - Search Results

1

Computational investigation of the phase stability, electronic, optical, phonon spectrum, and elastic behavior of layered perovskites Ca₂XO₄ (X = Zr, Hf) for optoelectronic applications.

Khalil RMA, Hussain MI, Raza A, Fatima R, Hussain F, Alam M, Wahab R, Ali M, Nasir JA. Khalil RMA, et al. J Mol Model. 2024 Dec 4;31(1):4. doi: 10.1007/s00894-024-06216-4. J Mol Model. 2024. PMID: 39627599

2

Exploration of the structural, optoelectronic, magnetic, elastic, vibrational, and thermodynamic properties of molybdenum-based chalcogenides A₂MoSe₄ (A =Li, K) for photovoltaics and spintronics applications: a first-principle study.

Ali M, Khalil RMA, Hussain MI, Hussain F. Ali M, et al. Among authors: khalil rma. J Mol Model. 2023 Oct 23;29(11):347. doi: 10.1007/s00894-023-05751-w. J Mol Model. 2023. PMID: 37872270

3

Ab-initio prediction of the mechanical, magnetic and thermoelectric behaviour of perovskite oxides XGaO₃ (X = Sc, Ti, Ag) using LDA+U functional: For optoelectronic devices.

Hussain MI, Khalil RMA, Hussain F, Rana AM, Imran M. Hussain MI, et al. Among authors: khalil rma. J Mol Graph Model. 2020 Sep;99:107621. doi: 10.1016/j.jmgm.2020.107621. Epub 2020 Apr 20. J Mol Graph Model. 2020. PMID: 32339899

4

ab initio study of oxygen vacancy effects on structural, electronic and thermoelectric behavior of AZr_1-xM_xO₃ (A = Ba, Ca, Sr; M= Al, Cu, x = 0.25) for application of memory devices.

Khera EA, Ullah H, Imran M, Niaz NA, Hussain F, Khalil RMA, Resheed U, Rana AM, Hussain MI, Mahata C, Kim S. Khera EA, et al. Among authors: khalil rma. J Mol Graph Model. 2021 Mar;103:107825. doi: 10.1016/j.jmgm.2020.107825. Epub 2020 Dec 21. J Mol Graph Model. 2021. PMID: 33429230

5

DFT-based study of the structural, optoelectronic, mechanical and magnetic properties of Ti₃AC₂ (A = P, As, Cd) for coating applications.

Khalil RMA, Hussain MI, Luqman N, Hussain F, Rana AM, Akhtar MS, Mehmood RF. Khalil RMA, et al. RSC Adv. 2022 Feb 3;12(7):4395-4407. doi: 10.1039/d1ra07856a. eCollection 2022 Jan 28. RSC Adv. 2022. PMID: 35425429 Free PMC article.

6

Improved resistive switching characteristics of a multi-stacked HfO₂/Al₂O₃/HfO₂ RRAM structure for neuromorphic and synaptic applications: experimental and computational study.

Khera EA, Mahata C, Imran M, Niaz NA, Hussain F, Khalil RMA, Rasheed U, SungjunKim. Khera EA, et al. Among authors: khalil rma. RSC Adv. 2022 Apr 14;12(19):11649-11656. doi: 10.1039/d1ra08103a. eCollection 2022 Apr 13. RSC Adv. 2022. PMID: 35432948 Free PMC article.

7

Ab-initio prediction of structure stability, electromagnetic, optical and thermoelectric behavior of orthorhombic LaXO₃ (X= Cr, Mn, Fe): For device application.

Sabir B, Murtaza G, Khalil RMA. Sabir B, et al. Among authors: khalil rma. J Mol Graph Model. 2020 Jan;94:107482. doi: 10.1016/j.jmgm.2019.107482. Epub 2019 Oct 22. J Mol Graph Model. 2020. PMID: 31683154

8

Ab-initio exploration of unique and substantial computational properties of double hydrides Cs₂CaTlH₆, Cs₂SrTlH₆, & Cs₂BaTlH₆, for the computational manufacturing of hydrogen fuel cell: A DFT study.

Shafqat Hayat M, Khalil RMA. Shafqat Hayat M, et al. Among authors: khalil rma. J Mol Graph Model. 2023 Dec;125:108600. doi: 10.1016/j.jmgm.2023.108600. Epub 2023 Aug 18. J Mol Graph Model. 2023. PMID: 37666056

9

Comparison of Mulligan technique versus muscle energy technique in patients with adhesive capsulitis.

Khalil R, Tanveer F, Hanif A, Ahmad A. Khalil R, et al. J Pak Med Assoc. 2022 Feb;72(2):211-215. doi: 10.47391/JPMA.1678. J Pak Med Assoc. 2022. PMID: 35320163 Free article. Clinical Trial.

10

Theoretical insight into physical characteristics of lead-free perovskites Rb₂TlSbX₆ (X = Cl, Br, I) for optoelectronic devices.

Shah IA, Imran M, Hussain F, Rasheed U, Alam M, Ali SM, Wahab R, Khalil RMA, Ehsan MF, Shoaib M. Shah IA, et al. Among authors: khalil rma. J Mol Model. 2024 Aug 6;30(9):299. doi: 10.1007/s00894-024-06092-y. J Mol Model. 2024. PMID: 39107564

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