| Boron doped graphene as anode material for Mg ion battery: A DFT study M Riyaz, S Garg, N Kaur, N Goel Computational and Theoretical Chemistry 1214, 113757, 2022 | 25 | 2022 |
| Photodegradation of dye using Polythiophene/ZnO nanocomposite: A computational approach S Garg, N Goel Journal of Molecular Graphics and Modelling 117, 108285, 2022 | 23 | 2022 |
| Optoelectronic applications of conjugated organic polymers: influence of donor/acceptor groups through density functional studies S Garg, N Goel The Journal of Physical Chemistry C 126 (22), 9313-9323, 2022 | 16 | 2022 |
| Experimental and computational investigation on Polyaniline/Zno nanocomposite for dye adsorption S Garg, S Singhal, N Goel Materials Science and Engineering: B 284, 115895, 2022 | 14 | 2022 |
| Encapsulation of heavy metal ions via adsorption using cellulose/ZnO composite: First principles approach S Garg, N Goel Journal of Molecular Graphics and Modelling 124, 108566, 2023 | 11 | 2023 |
| Conceptual DFT and TDDFT study on electronic structure and reactivity of pure and sulfur doped (CrO3) n (n= 1–10) clusters S Garg, N Kaur, N Goel Journal of Molecular Graphics and Modelling 99, 107617, 2020 | 10 | 2020 |
| Density functional study on electrochemical reduction of carbon dioxide to C1 products using zinc oxide catalyst Sonam, S Garg, N Goel Theoretical Chemistry Accounts 142 (3), 31, 2023 | 6 | 2023 |
| Properties of naked silver clusters with up to 100 atoms as found with embedded-atom and density-functional calculations S Garg, N Kaur, N Goel, M Molayem, VG Grigoryan, M Springborg Molecules 28 (7), 3266, 2023 | 4 | 2023 |
| Tailoring Polypyrrole and Polyaniline Polymers by Introducing Side Groups for Sensing and Photovoltaic Applications: A DFT Study S Garg, N Goel ACS Applied Electronic Materials 4 (11), 5246-5255, 2022 | 4 | 2022 |
| DFT‐Based Computational Approach for Structure and Design of Materials: The Unfinished Story R Kumar, M Khera, S Garg, N Goel Electron Density: Concepts, Computation and DFT Applications, 465-489, 2024 | 2 | 2024 |
| First principle study of hybrid materials based on conjugated polymers and zirconium oxide as a proficient sensor for H2S gas S Garg, N Goel Molecular Physics, e2150332, 2022 | 2 | 2022 |
| DFT Study on the Spin States of Polyaniline–3d Transition-Metal (Sc–Zn) Composites and Their Sensing Application to Detect Chemical Warfare Agents S Garg, R Singla, N Goel The Journal of Physical Chemistry A 128 (4), 773-784, 2024 | | 2024 |
Mohd RiyazTechnical University of Denmark (JNCASR, Panjab University)Email yang diverifikasi di dtu.dk