| 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 |
| Spin Inversion Phenomenon and Two-State Reactivity Mechanism for Direct Benzene Hydroxylation by V4O10 Cluster N Kaur, I Kumari, S Gupta, N Goel The Journal of Physical Chemistry A 120 (48), 9588-9597, 2016 | 23 | 2016 |
| Physiochemical properties of new formulations of 1-ethyl-3-methylimidazolium bis (trifluoromethylsulfonyl) imide with tritons S Bansal, N Kaur, GR Chaudhary, SK Mehta, AS Ahluwalia Journal of Chemical & Engineering Data 59 (12), 3988-3999, 2014 | 23 | 2014 |
| 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 |
| Time-dependent DFT and experimental study on visible light photocatalysis by metal oxides of Ti, V and Zn after complexing with a conjugated polymer N Kaur, S Gupta, V Kumar, KB Tikoo, S Singhal, N Goel New Journal of Chemistry 43 (3), 1505-1516, 2019 | 9 | 2019 |
| Enantioselective synthesis of sulfoxide using an SBA-15 supported vanadia catalyst: a computational elucidation using a QM/MM approach N Kaur, S Gupta, N Goel Physical Chemistry Chemical Physics 19 (36), 25059-25070, 2017 | 8 | 2017 |
| 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 |
| Understanding structure-activity relation in VxOy clusters of varied stoichiometry and sizes through conceptual density functional approach N Kaur, S Gupta, N Goel Journal of Molecular Modeling 25, 1-13, 2019 | 4 | 2019 |
| Nucleotide conjugated (ZnO) 3 cluster: Interaction and optical characteristics using TDDFT I Kumari, N Kaur, S Gupta, N Goel Journal of Molecular Graphics and Modelling 87, 211-219, 2019 | 4 | 2019 |
| Clusters as catalysts: advantages and challenges S Gupta, N Kaur, I Kumari, N Goel | 2 | 2018 |
| First-Principles Characterization of Noncovalent Interactions in the Enantioselective Oxetane Ring Opening via SPHENOL-Based Chiral Phosphoric Acid Catalyst M Khera, N Kaur, N Goel The Journal of Organic Chemistry 89 (17), 12118-12127, 2024 | 1 | 2024 |
| Banana leaves powder as an effective, low-cost adsorbent for methyl blue dye removal: kinetics, isothermal, thermodynamics, ANN and DFT analysis SK Dutta, MN Jahan, N Kaur, SD Barna, NJ Sathi, R Sultana, PK Dhar, ... International Journal of Environmental Science and Technology, 1-26, 2024 | 1 | 2024 |
| Temperature controlled synthesis and transformation of dinuclear to hexanuclear zinc complexes of a benzothiazole based ligand: Coordination induced fluorescence enhancement … R Kumar, N Kaur, R Kaur, N Kaur, SC Sahoo, PK Nanda Journal of Molecular Structure 1265, 133300, 2022 | 1 | 2022 |
| A QM/MM study on ethene and benzene oxidation using silica-supported chromium trioxide I Kumari, N Kaur, S Gupta, N Goel Journal of Molecular Modeling 25, 1-9, 2019 | 1 | 2019 |
| Novel Cholesterol-Based Dihydropyrimidinone Derivatives with Potential Biological Activities: An In-silico Investigation A Bendi, N Kaur, N Raghav, MP Kaushik Journal of Computational Biophysics and Chemistry 23 (5), 679-689, 2024 | | 2024 |
| Kinetics and Thermodynamics of CO Oxidation by (TiO2)6 N Kaur, N Goel, M Springborg, M Molayem Molecules 26 (21), 6415, 2021 | | 2021 |
| Computational Investigations on Metal Oxide Clusters and Graphene-Based Nanomaterials for Heterogeneous Catalysis N Goel, N Kaur, M Riyaz, S Yadav Mathematics Applied to Engineering in Action, 93-118, 2021 | | 2021 |
| A STUDY ON CLINICO-EPIDEMIOLOGICAL PROFILE OF HEAD INJURY WITH MAXILLOFACIAL TRAUMA PATIENTS IN A TERTIARY HOSPITAL, GURUGRAM SK Chamola, N Kaur, V Pal, VK Pathak, J Kumar, H Sharma, M Kumar, ... | | |
| Density functional studies on reactivity of first row transition metal oxide clusters in their ground and higher spin states N Kaur Chandigarh, 0 | | |