| Combined experimental (FT-IR, UV–visible spectra, NMR) and theoretical studies on the molecular structure, vibrational spectra, HOMO, LUMO, MESP surfaces, reactivity descriptor … A Kumar, AK Srivastava, S Gangwar, N Misra, A Mondal, G Brahmachari Journal of Molecular Structure 1096, 94-101, 2015 | 49 | 2015 |
| On the inhibition of COVID-19 protease by Indian herbal plants: An in silico investigation AK Srivastava, A Kumar, N Misra arXiv preprint arXiv:2004.03411, 2020 | 37 | 2020 |
| A path to design stronger superacids by using superhalogens AK Srivastava, A Kumar, N Misra Journal of Fluorine Chemistry 197, 59-62, 2017 | 37 | 2017 |
| Superhalogens as building blocks of a new series of superacids AK Srivastava, A Kumar, N Misra New Journal of Chemistry 41 (13), 5445-5449, 2017 | 33 | 2017 |
| Evolution of anisotropy, first order hyperpolarizability and electronic parameters in p-alkyl-p’-cynobiphenyl series of liquid crystals: odd-even effect revisited A Kumar, AK Srivastava, SN Tiwari, N Misra, D Sharma Molecular Crystals and Liquid Crystals 681 (1), 23-31, 2019 | 32 | 2019 |
| Synthesis, spectral (FT-IR, UV-visible, NMR) features, biological activity prediction and theoretical studies of 4-Amino-3-(4-hydroxybenzyl)-1H-1, 2, 4-triazole-5 (4H)-thione … AK Srivastava, A Kumar, N Misra, PS Manjula, BK Sarojini, B Narayana Journal of Molecular Structure 1107, 137-144, 2016 | 31 | 2016 |
| Molecular docking and comparative vibrational spectroscopic analysis, HOMO-LUMO, polarizabilities, and hyperpolarizabilities of N-(4-bromophenyl)-4-nitrobenzamide by different … A Dwivedi, A Kumar Polycyclic Aromatic Compounds, 2019 | 28 | 2019 |
| Structure and properties of Li@ C60–PF6 endofullerene complex AK Srivastava, A Kumar, N Misra Physica E: Low-dimensional Systems and Nanostructures 84, 524-529, 2016 | 21 | 2016 |
| Superalkali@ C60− superhalogen: Structure and nonlinear optical properties of a new class of endofullerene complexes AK Srivastava, A Kumar, N Misra Chemical Physics Letters 682, 20-25, 2017 | 20 | 2017 |
| Application of superhalogens in the design of organic superconductors AK Srivastava, A Kumar, SN Tiwari, N Misra New Journal of Chemistry 41 (24), 14847-14850, 2017 | 20 | 2017 |
| Superhalogens as building blocks of ionic liquids AK Srivastava, A Kumar, N Misra The Journal of Physical Chemistry A 125 (10), 2146-2153, 2021 | 18 | 2021 |
| In silico investigations on the potential inhibitors for COVID-19 protease AK Srivastava, A Kumar, G Tiwari, R Kumar, N Misra arXiv preprint arXiv:2003.10642, 2020 | 15 | 2020 |
| Structural confirmation, single X-ray crystallographic behavior, molecular docking and other physico-chemical properties of gerberinol, a natural dimethyl dicoumarol from … G Brahmachari, S Das, A Kumar, N Misra, S Sharma, VK Gupta Journal of Molecular Structure 1136, 214-221, 2017 | 15 | 2017 |
| In Silico Investigation of Electronic Structure, Binding Patterns and Molecular Docking of Nevirapine: An anti-HIV Type-1 Drug G Tiwari, A Kumar, KK Dwivedi, D Sharma Polycyclic Aromatic Compounds 42 (5), 2789-2804, 2022 | 11 | 2022 |
| 3, 5, 7-Trimethoxyphenanthrene-1, 4-dione: a new biologically relevant natural phenanthrenequinone derivative from Dioscorea prazeri and studies on its single X-ray … G Brahmachari, S Das, M Biswas, A Kumar, AK Srivastava, N Misra RSC advances 6 (9), 7317-7329, 2016 | 10 | 2016 |
| Structure, spectroscopic analyses (FT-IR and NMR), vibrational study, chemical reactivity and molecular docking study on 3, 3'-((4-(trifluoromethyl) phenyl) methylene) bis (2 … KK Yadav, A Kumar, A Kumar, N Misra, G Brahmachari Journal of Molecular Structure 1154, 596-605, 2018 | 9 | 2018 |
| Molecular structures, vibrational spectra, electronic properties, and molecular docking of two pyrazoline derivatives containing 1-carboxamide and 1-carbothioamide: a … A Kumar, A Dwivedi, AK Srivastava, N Misra, B Narayana, S Samshuddin, ... Polycyclic Aromatic Compounds 37 (4), 267-279, 2017 | 9 | 2017 |
| Pyridoxal-based low molecular weight progelator as a new chemosensor for the recognition of Ag+ and Hg 2+ under different conditions SG Roy, A Kumar, N Misra, K Ghosh Materials Advances 3 (14), 5836-5844, 2022 | 8 | 2022 |
| Quantum chemical and molecular docking studies on two potential hepatitis C virus inhibitors G Tiwari, AK Srivastava, R Kumar, A Kumar Main Group Chemistry 18 (2), 107-121, 2019 | 8 | 2019 |
| Synthesis, spectroscopic characterization, X-ray analysis and theoretical studies on the spectral features (FT-IR, ¹H-NMR), chemical reactivity, NBO analyses of 2-(4 … G Brahmachari, A Kumar, AK Srivastava, S Gangwar, N Misra, VK Gupta RSC advances 5 (99), 2015 | 8 | 2015 |
