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GGA and GGA + U Study of ThMn2Si2 and ThMn2Ge2 Compounds in a Body-Centered Tetragonal Ferromagnetic Phase

Molecules (Basel, Switzerland), 2022-10, Vol.27 (20), p.7070

2022

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Structure stability, half metallic ferromagnetism, magneto-electronic and thermoelectric properties of new zintl XCr2Bi2 (X=Ca, Sr) compounds for spintronic and renewable energy applications

Physica. B, Condensed matter, 2021-04, Vol.607, p.412866, Article 412866

2021

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DFT analysis of elastic and optoelectronic properties of Cs2NaXCl6 (X=In, La, Sc, Y) double perovskite compounds

Materials chemistry and physics, 2024-09, Vol.324, p.129683, Article 129683

2024

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Effect of heteroatoms on structural, electronic and spectroscopic properties of polyfuran, polythiophene and polypyrrole: A hybrid DFT approach

Journal of molecular structure, 2023-02, Vol.1274, p.134484, Article 134484

2023

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Investigation of electronic structure, magnetic stability, spin coupling, and thermodynamic properties of novel antiferromagnets XMn2Y2 (X = Ca, Sr; Y = P, As)

Journal of molecular structure, 2022-11, Vol.1268, p.133698, Article 133698

2022

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Cationic variation for LnAl2Si2 (Ln = Y, Sm, Tb, Dy, Yb) compounds by density functional theory

Journal of molecular structure, 2022-03, Vol.1252, p.132136, Article 132136

2022

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First-principles calculations of structural, electronic, magnetic, thermoelectric, and thermodynamic properties of BaMn2P2 in the Anti and ferromagnetic phase

Journal of solid state chemistry, 2021-10, Vol.302, p.122388, Article 122388

2021

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Insight into the electronic structure, magnetic, and thermoelectric properties of transition metal pnictides KCr2L2 (K= Ca, Sr; L = P, As): As substitute source for renewing energy

Physica. B, Condensed matter, 2023-01, Vol.649, p.414470, Article 414470

2023

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GGA and GGA + U Study of ThMn[sub.2]Si[sub.2] and ThMn[sub.2]Ge[sub.2] Compounds in a Body-Centered Tetragonal Ferromagnetic Phase

Molecules (Basel, Switzerland), 2022-10, Vol.27 (20)

2022

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Electronic structure, magnetic, and thermoelectric properties of BaMn2As2 compound: a first-principles study

Physica scripta, 2022-06, Vol.97 (6)

2022

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Ni and Ti doping and its influence on structure and opto-electronic properties of cadmium sulfide thin films

Optical materials, 2024-11, Vol.157, p.116208, Article 116208

2024

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Effect of Eu2+ and Tb2+ doping on structural, photoluminescence, thermodynamic and thermoelectric properties of celestine (SrSO4) phosphors

Materials chemistry and physics, 2023-04, Vol.299, p.127422, Article 127422

2023

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Electronic band profiles and magneto-electronic properties of ternary XCu 2 P 2 (X = Ca, Sr) compounds: insight from ab initio calculations

Zeitschrift für Naturforschung. A, A journal of physical sciences, 2020-06, Vol.75 (6), p.543-549

2020

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Systematic studies of the structural, optoelectronic and thermoelectric characteristics of Hafnium based zintl HfCu2X2 (X= N, P, As, Sb and Bi) compounds

Physica. B, Condensed matter, 2023-10, Vol.666, p.415131, Article 415131

2023

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First-principles calculations of electronic and magnetic properties of XMn 2 Y 2 ( X = Ca, Sr; Y = Sb, Bi) compounds

International journal of modern physics. B, Condensed matter physics, statistical physics, applied physics, 2019-07, Vol.33 (18), p.1950199

2019

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Electronic structure, magnetic, and thermoelectric properties of BaMn 2 As 2 compound: a first-principles study

Physica scripta, 2022-06, Vol.97 (6), p.65810

2022

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Effects of anion-ligands replacement on the Structural, Electronic and Magnetic properties of ThCo2X2 (X = Si, Ge)

Chinese journal of physics (Taipei), 2022-06, Vol.77, p.956-964

2022

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Variation of cation-ligands XAl2Ge2 (X = Pr, Nd, Gd, Tb) compounds by employing density functional theory

Chinese journal of physics (Taipei), 2024-08, Vol.90, p.266-274

2024

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Development of nanosized ZnO-PVA-based polymer composite films for performance efficiency optimisation of organic solar cells

European physical journal plus, 2022-10, Vol.137 (10), p.1105, Article 1105

2022

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Mechanical and thermodynamic stability, structural, electronics and magnetic properties of new ternary thorium-phosphide silicides ThSi x P 1-x : First-principles investigation and prospects for clean nuclear energy applications

Nuclear Engineering and Technology, 2021, 53(2), , pp.592-602

2021

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Structural, Thermoelectric, Electronic, and Magnetic Properties of Pristine Intermetallic Rare-Earth-Based XMn 2 Si 2 (X=Dy, Er) Compounds

ECS journal of solid state science and technology, 2023-04, Vol.12 (4), p.43012

2023

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Mechanical and thermodynamic stability, structural, electronics and magnetic properties of new ternary thorium-phosphide silicides ThSi x P 1-x : First-principles investigation and prospects for clean nuclear energy applications

Nuclear engineering and technology, 2021, Vol.53 (2), p.592-602

2021

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The role of silver nanoparticles synthesized from Brassica olerace for determination of Aspirin in pharmaceutical samples by standard additions method

Experimental and Theoretical NANOTECHNOLOGY, 2023-01, p.181-196

2023

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Structural, Opto-Electronic and Transport Properties of Zintl Compound YbZn2Y2 (Y=P, As, Sb, Bi)

Engineered Science, 2024

2024

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Antibiotic resistance in patients with urinary tract infections in Pakistan

Public health action, 2022-03, Vol.12 (1), p.48-52

2022

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GGA and GGA + U Study of ThMn2Si2 and ThMn2Ge2 Compounds in a Body-Centered Tetragonal Ferromagnetic Phase

Structure stability, half metallic ferromagnetism, magneto-electronic and thermoelectric properties of new zintl XCr2Bi2 (X=Ca, Sr) compounds for spintronic and renewable energy applications

DFT analysis of elastic and optoelectronic properties of Cs2NaXCl6 (X=In, La, Sc, Y) double perovskite compounds

Effect of heteroatoms on structural, electronic and spectroscopic properties of polyfuran, polythiophene and polypyrrole: A hybrid DFT approach

Investigation of electronic structure, magnetic stability, spin coupling, and thermodynamic properties of novel antiferromagnets XMn2Y2 (X = Ca, Sr; Y = P, As)

Cationic variation for LnAl2Si2 (Ln = Y, Sm, Tb, Dy, Yb) compounds by density functional theory

First-principles calculations of structural, electronic, magnetic, thermoelectric, and thermodynamic properties of BaMn2P2 in the Anti and ferromagnetic phase

Insight into the electronic structure, magnetic, and thermoelectric properties of transition metal pnictides KCr2L2 (K= Ca, Sr; L = P, As): As substitute source for renewing energy

GGA and GGA + U Study of ThMn[sub.2]Si[sub.2] and ThMn[sub.2]Ge[sub.2] Compounds in a Body-Centered Tetragonal Ferromagnetic Phase

Electronic structure, magnetic, and thermoelectric properties of BaMn2As2 compound: a first-principles study

Ni and Ti doping and its influence on structure and opto-electronic properties of cadmium sulfide thin films

Effect of Eu2+ and Tb2+ doping on structural, photoluminescence, thermodynamic and thermoelectric properties of celestine (SrSO4) phosphors

Electronic band profiles and magneto-electronic properties of ternary XCu 2 P 2 (X = Ca, Sr) compounds: insight from ab initio calculations

Systematic studies of the structural, optoelectronic and thermoelectric characteristics of Hafnium based zintl HfCu2X2 (X= N, P, As, Sb and Bi) compounds

First-principles calculations of electronic and magnetic properties of XMn 2 Y 2 ( X = Ca, Sr; Y = Sb, Bi) compounds

Electronic structure, magnetic, and thermoelectric properties of BaMn 2 As 2 compound: a first-principles study

Effects of anion-ligands replacement on the Structural, Electronic and Magnetic properties of ThCo2X2 (X = Si, Ge)

Variation of cation-ligands XAl2Ge2 (X = Pr, Nd, Gd, Tb) compounds by employing density functional theory

Development of nanosized ZnO-PVA-based polymer composite films for performance efficiency optimisation of organic solar cells

Mechanical and thermodynamic stability, structural, electronics and magnetic properties of new ternary thorium-phosphide silicides ThSi x P 1-x : First-principles investigation and prospects for clean nuclear energy applications

Structural, Thermoelectric, Electronic, and Magnetic Properties of Pristine Intermetallic Rare-Earth-Based XMn 2 Si 2 (X=Dy, Er) Compounds

Mechanical and thermodynamic stability, structural, electronics and magnetic properties of new ternary thorium-phosphide silicides ThSi x P 1-x : First-principles investigation and prospects for clean nuclear energy applications

The role of silver nanoparticles synthesized from Brassica olerace for determination of Aspirin in pharmaceutical samples by standard additions method

Structural, Opto-Electronic and Transport Properties of Zintl Compound YbZn2Y2 (Y=P, As, Sb, Bi)

Antibiotic resistance in patients with urinary tract infections in Pakistan

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