| Qualitative as well as quantitative analysis of interactions present in chlorine and bromine substituted aromatic organic crystals: A DFT linked Crystal Explorer study M Khera, N Goel Journal of Molecular Graphics and Modelling 95, 107503, 2020 | 10 | 2020 |
| Mechanistic details of amino acid catalyzed two-component Mannich reaction: experimental study backed by density functional calculations D Rani, L Thakur, M Khera, N Goel, J Agarwal Amino acids 51, 1609-1621, 2019 | 7 | 2019 |
| Mononuclear Pseudostannatranes Possessing Unsymmetrical [4.4.3.01,5]Tridecane Cage: Experimental and Theoretical Aspects of Reverse Kocheshkov … K Kumar, N Srivastav, M Khera, N Goel, R Singh, V Kaur Inorganic Chemistry 59 (18), 13098-13108, 2020 | 6 | 2020 |
| Cooperative Effect of Noncovalent Interactions on Tetrel Bonding in Halogenated Silanes M Khera, N Goel ChemPhysChem 23 (5), e202100776, 2022 | 5 | 2022 |
| Coordination compound containing σ-hole interactions: Synthesis and crystal structure of NH4 [Cr (CO (NH2) 2) 6][Hg (SCN) 4] 2· 2H2O R Bala, A Golobič, D Sachdeva, V Prakash, N Goel, M Khera Journal of Molecular Structure 1250, 131684, 2022 | 2 | 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 | 1 | 2024 |
| Ligand and Substituent Effect on Regium− π Bonding in Cu and Ag π-Conjugated Complexes: A Density Functional Study M Khera, Anchal, N Goel The Journal of Physical Chemistry A 127 (33), 6953-6961, 2023 | 1 | 2023 |
| 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, 2024 | | 2024 |
| Noncovalent Interactions, Structure Elucidation and Docking Studies of anti-Fungal Pyridine Carboxamide Derivatives of Co (II), Ni (II), Cu (II) & Zn (II) M Khera, N Goel Polycyclic Aromatic Compounds, 1-14, 2023 | | 2023 |
| Asymmetric catalysis by l-prolinamide based small molecules: synthesis, characterization and first principle studies on their enantioselectivity D Rani, M Khera, N Goel, J Agarwal Molecular Catalysis 545, 113185, 2023 | | 2023 |
