Works by Kosar, Naveen

Results: 14

Synthesis and Structural Properties of N-(2-bromo-4-nitrophenyl)-3-methoxy-4-oxo-3,4-dihydro-2H-benzo[e][1,2]thiazine-3-carboxamide1,1-dioxide: A Comparative Experimental and Quantum Chemical Study.

Published in:

Journal of the Chemical Society of Pakistan, 2017, v. 39, n. 5, p. 727

By:

Nadeem Arshad, Muhammad;
Kosar, Naveen;
Muhammad Asiri, Adullah;
Ayub, Khurshid;
Ullah Khan, Islam;
Mahmood, Tariq

Publication type:

Article

Facile synthesis of 4-aryl-N-(5-methyl-1H-pyrazol-3-yl)benzamides via Suzuki Miyaura reaction: Antibacterial activity against clinically isolated NDM-1-positive bacteria and their Docking Studies.

Published in:

Arabian Journal of Chemistry, 2021, v. 14, n. 8, p. N.PAG, doi. 10.1016/j.arabjc.2021.103270

By:

Ahmad, Gulraiz;
Rasool, Nasir;
Qamar, Muhammad Usman;
Alam, Mohammed Mujahid;
Kosar, Naveen;
Mahmood, Tariq;
Imran, Muhammad

Publication type:

Article

Benchmark approach to search of cost‐effective and accurate density functional for homolytic cleavage of C─Mg bond of Grignard reagent.

Published in:

International Journal of Quantum Chemistry, 2020, v. 120, n. 4, p. N.PAG, doi. 10.1002/qua.26106

By:

Kosar, Naveen;
Ayub, Khurshid;
Gilani, Mazhar A.;
Shah, Faheem;
Mahmood, Tariq

Publication type:

Article

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

Published in:

Journal of Molecular Modeling, 2022, v. 28, n. 12, p. 1, doi. 10.1007/s00894-022-05386-3

By:

Kosar, Naveen;
Ayub, Khurshid;
Gilani, Mazhar Amjad;
Arshad, Muhammad;
Mahmood, Tariq

Publication type:

Article

Benchmark DFT studies on C-CN homolytic cleavage and screening the substitution effect on bond dissociation energy.

Published in:

Journal of Molecular Modeling, 2019, v. 25, n. 2, p. 1, doi. 10.1007/s00894-019-3930-x

By:

Kosar, Naveen;
Ayub, Khurshid;
Gilani, Mazhar Amjad;
Mahmood, Tariq

Publication type:

Article

Sensor applications of polypyrrole for oxynitrogen analytes: a DFT study.

Published in:

Journal of Molecular Modeling, 2018, v. 24, n. 11, p. 1, doi. 10.1007/s00894-018-3843-0

By:

Wasim, Fatima;
Kosar, Naveen;
Mahmood, Tariq;
Ayub, Khurshid

Publication type:

Article

Role of Delocalization, Asymmetric Distribution of π-Electrons and Elongated Conjugation System for Enhancement of NLO Response of Open Form of Spiropyran-Based Thermochromes.

Published in:

Molecules, 2023, v. 28, n. 17, p. 6283, doi. 10.3390/molecules28176283

By:

Kosar, Naveen;
Kanwal, Saba;
Hamid, Malai Haniti S. A.;
Ayub, Khurshid;
Gilani, Mazhar Amjad;
Imran, Muhammad;
Arshad, Muhammad;
Alkhalifah, Mohammed A.;
Sheikh, Nadeem S.;
Mahmood, Tariq

Publication type:

Article

N-Arylation of Protected and Unprotected 5-Bromo-2-aminobenzimidazole as Organic Material: Non-Linear Optical (NLO) Properties and Structural Feature Determination through Computational Approach.

Published in:

Molecules, 2021, v. 26, n. 22, p. 6920, doi. 10.3390/molecules26226920

By:

Mumtaz, Mubeen;
Rasool, Nasir;
Ahmad, Gulraiz;
Kosar, Naveen;
Rashid, Umer

Publication type:

Article

Selective Arylation of 2-Bromo-4-chlorophenyl-2-bromobutanoate via a Pd-Catalyzed Suzuki Cross-Coupling Reaction and Its Electronic and Non-Linear Optical (NLO) Properties via DFT Studies.

Published in:

Molecules, 2020, v. 25, n. 15, p. 3521, doi. 10.3390/molecules25153521

By:

Nazeer, Usman;
Rasool, Nasir;
Mujahid, Aqsa;
Mansha, Asim;
Zubair, Muhammad;
Kosar, Naveen;
Mahmood, Tariq;
Raza Shah, Ali;
Shah, Syed Adnan Ali;
Zakaria, Zainul Amiruddin;
Akhtar, Muhammad Nadeem;
Neves, M. Graça P. M. S.;
Favi, Gianfranco

Publication type:

Article

Supramolecular Assemblies of 3/4-Chlorobenzoic Acid and Amino-Chloropyridine Derivatives: Synthesis, X-ray Diffraction, DFT Calculations, and Biological Screening.

Published in:

Crystals (2073-4352), 2023, v. 13, n. 12, p. 1663, doi. 10.3390/cryst13121663

By:

Ahmad, Tufail;
Kosar, Naveen;
Said, Muhammad;
Ahmed, Maqsood;
Mahmood, Tariq;
Khan, Ezzat

Publication type:

Article

Detailed Mechanistic Study of Radical Mediated Chemoselective Phosphination of Aryl Halide.

Published in:

ChemistrySelect, 2018, v. 3, n. 40, p. 11302, doi. 10.1002/slct.201801495

By:

Kosar, Naveen;
Mahmood, Tariq;
Hafeez, Farhan;
Ayub, Khurshid

Publication type:

Article

SAR, Molecular Docking and Molecular Dynamic Simulation of Natural Inhibitors against SARS-CoV-2 Mpro Spike Protein.

Published in:

Molecules, 2024, v. 29, n. 5, p. 1144, doi. 10.3390/molecules29051144

By:

Salamat, Aqsa;
Kosar, Naveen;
Mohyuddin, Ayesha;
Imran, Muhammad;
Zahid, Muhammad Nauman;
Mahmood, Tariq

Publication type:

Article

Unveiling the Potential of B 3 O 3 Nanoflake as Effective Transporter for the Antiviral Drug Favipiravir: Density Functional Theory Analysis.

Published in:

Molecules, 2023, v. 28, n. 24, p. 8092, doi. 10.3390/molecules28248092

By:

Zahid, Muhammad Nauman;
Kosar, Naveen;
Sajid, Hasnain;
Ibrahim, Khalid Elfaki;
Gatasheh, Mansour K.;
Mahmood, Tariq

Publication type:

Article

Schiff Bases Derived from 2‐Amino‐6‐methylbenzothiazole, 2‐Amino‐5‐chloropyridine and 4‐Chlorobenzaldehyde: Structure, Computational Studies and Evaluation of Biological Activity.

Published in:

ChemistrySelect, 2022, v. 7, n. 38, p. 1, doi. 10.1002/slct.202203386

By:

Hanif, Muhammad;
Kosar, Naveen;
Mahmood, Tariq;
Muhammad, Mian;
Ullah, Farhat;
Tahir, Muhammad Nawaz;
Ribeiro, Alany Ingrid;
Khan, Ezzat

Publication type:

Article