N
Naveen Kosar
Researcher at University of Management and Technology
Publications - 51
Citations - 1004
Naveen Kosar is an academic researcher from University of Management and Technology. The author has contributed to research in topics: Hyperpolarizability & Density functional theory. The author has an hindex of 13, co-authored 36 publications receiving 491 citations. Previous affiliations of Naveen Kosar include COMSATS Institute of Information Technology & Hazara University.
Papers
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Journal ArticleDOI
Demonstrating the Potential of Alkali Metal-Doped Cyclic C6O6Li6 Organometallics as Electrides and High-Performance NLO Materials.
Sunaina Wajid,Naveen Kosar,Faizan Ullah,Mazhar Amjad Gilani,Khurshid Ayub,Shabbir Muhammad,Tariq Mahmood +6 more
TL;DR: In this article, the geometric and electronic properties and static and dynamic hyperpolarizabilities of alkali metal-doped C6O6Li6 organometallics are analyzed via density functional theory methods.
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Structural, spectroscopic and nonlinear optical properties of sulfonamide derivatives; experimental and theoretical study
Muhammad Nadeem Arshad,Hassan M. Faidallah,Hassan M. Faidallah,Abdullah M. Asiri,Naveen Kosar,Tariq Mahmood +5 more
TL;DR: In this article, structural, spectroscopic and nonlinear optical properties of two simple sulfonamide derivatives were reported by using density functional theory (DFT) at B3LYP/6-31G(d,p) method.
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Remarkable nonlinear optical response of Mn@C20 (M = Na & K and n = 1–6); a DFT outcome
TL;DR: In this paper, the electronic, optical and nonlinear (NLO) optical properties of Na and K (single and multiple) doped C20 fullerene are investigated via density functional theory (DFT) methods.
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Theoretical investigation of halides encapsulated Na@B40 nanocages for potential applications as anodes for sodium ion batteries
Naveen Kosar,Faizan Ullah,Khurshid Ayub,Umer Rashid,Muhammad Imran,Muhammad Naeem Ahmed,Tariq Mahmood +6 more
TL;DR: In this article, DFT calculations are performed for geometrical and electrochemical properties study of Na or Na+ adsorbed A−@B40 (A−−= F-, Cl- and Br-) complexes.
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Effect of fluorination on the adsorption properties of aromatic heterocycles toward methyl halides: A quantum chemical study
TL;DR: In this article, the effect of fluorination on the adsorption properties of furan, thiophene, pyrrole, and benzene was investigated with the help of density functional theory (DFT) calculations.