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Excellent Static and dynamic hyperpolarizabilities of TM@C6O6Li6 (TM = Sc, Ti, V, Cr and Mn) complexes to prove their NLO applications

Article

6

Excellent Static and dynamic hyperpolarizabilities of TM@C6O6Li6 (TM = Sc, Ti, V, Cr and Mn) complexes to prove their NLO applications

Kosar, Naveen

Elsevier GmbH

2023

Excellent Static and dynamic hyperpolarizabilities of TM@C6O6Li6 (TM = Sc, Ti, V, Cr and Mn) complexes to prove their NLO applications

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Adsorption of Industrial Gases (CH4, CO2, and CO) on Olympicene: A DFT and CCSD(T) Investigation

Article

5

Adsorption of Industrial Gases (CH4, CO2, and CO) on Olympicene : A DFT and CCSD(T) Investigation

Sohail, Uroosa

American Chemical Society

2022

Adsorption of Industrial Gases (CH4, CO2, and CO) on Olympicene : A DFT and CCSD(T) Investigation

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Shedding light on static and dynamic hyperpolarizabilities of thia[7&8]circulenes, toward their NLO applications

Article

2

Shedding light on static and dynamic hyperpolarizabilities of thia[7&8]circulenes, toward their NLO applications

Kosar, Naveen

University of Bahrain

2022

Shedding light on static and dynamic hyperpolarizabilities of thia[7&8]circulenes, toward their NLO applications

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Designing of dimethylfluorene-based hole transport materials for high-performance organic/perovskite solar cells

Article

3

Designing of dimethylfluorene-based hole transport materials for high-performance organic/perovskite solar cells

Zahid, Waqar Ali

University of Bahrain

2023

Designing of dimethylfluorene-based hole transport materials for high-performance organic/perovskite solar cells

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Chemical sensing ability of aminated graphdiyne (GDY-NH2) toward highly toxic organic volatile pollutants

Article

1

Chemical sensing ability of aminated graphdiyne (GDY-NH2) toward highly toxic organic volatile pollutants

Allangawi, Abdulrahman

Elsevier B.V.

Chemical sensing ability of aminated graphdiyne (GDY-NH2) toward highly toxic organic volatile pollutants

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Toward High‑Performance Quinoxaline Based Non‑fullerene Small Molecule Acceptors for Organic Solar Cells

Article

4

Toward High‑Performance Quinoxaline Based Non‑fullerene Small Molecule Acceptors for Organic Solar Cells

Ayub, Amna

University of Bahrain

2023

Toward High‑Performance Quinoxaline Based Non‑fullerene Small Molecule Acceptors for Organic Solar Cells

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Alkaline earthides based on 15-crown-5 ether with remarkable NLO response

Article

1

Alkaline earthides based on 15-crown-5 ether with remarkable NLO response

Ahsan, Annum

Springer-Verlag GmbH

2022

Alkaline earthides based on 15-crown-5 ether with remarkable NLO response

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Alkaline earth metals (Be, Mg, Ca) doped hexamine complexant with enhanced electronic and nonlinear optical properties

Article

1

Alkaline earth metals (Be, Mg, Ca) doped hexamine complexant with enhanced electronic and nonlinear optical properties

Gul, Shehla

University of Bahrain

2022

Alkaline earth metals (Be, Mg, Ca) doped hexamine complexant with enhanced electronic and nonlinear optical properties

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High drug carrying efficiency of boron-doped Triazine based covalent organic framework toward anti-cancer tegafur; a theoretical perspective

Article

2

High drug carrying efficiency of boron-doped Triazine based covalent organic framework toward anti-cancer tegafur; a theoretical perspective

Allangawi, Abdulrahman

Elsevier

2023

High drug carrying efficiency of boron-doped Triazine based covalent organic framework toward anti-cancer tegafur; a theoretical perspective

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Diamondoid as potential nonlinear optical material by superalkali doping: A first principles study

Article

6

Diamondoid as potential nonlinear optical material by superalkali doping: A first principles study

Bano, Rehana

Elsevier, ScienceDirect

2023

Diamondoid as potential nonlinear optical material by superalkali doping: A first principles study

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Assessment of alkali and alkaline earth metals doped cubanes as high-performance nonlinear optical materials by first-principles study

Article

1

Assessment of alkali and alkaline earth metals doped cubanes as high-performance nonlinear optical materials by first-principles study

Naeem, Javaria

Elsevier B.V.

2022

Assessment of alkali and alkaline earth metals doped cubanes as high-performance nonlinear optical materials by first-principles study

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Designing neodymium‑doped hexamine complexant as novel IR NLO material with extremely large non‑linear optical behavior

Article

1

Designing neodymium‑doped hexamine complexant as novel IR NLO material with extremely large non‑linear optical behavior

Hameed, Shanza

University of Bahrain

2022

Designing neodymium‑doped hexamine complexant as novel IR NLO material with extremely large non‑linear optical behavior

Article

5

Reversible H2 Storage Capacity of Ni Functionalized Carbyne (C10) Complex

Kosar, Naveen

Springer

2023

Reversible H2 Storage Capacity of Ni Functionalized Carbyne (C10) Complex

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Ab initio study for superior sensitivity of graphyne nanofake towards nitrogen halides over ammonia

Article

5

Ab initio study for superior sensitivity of graphyne nanofake towards nitrogen halides over ammonia

Sajid, Hasnain

University of Bahrain

2022

Ab initio study for superior sensitivity of graphyne nanofake towards nitrogen halides over ammonia

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