| Molecular structure and vibrational study on 2, 3-dihydro-1H-indene and its derivative 1H-indene-1, 3 (2H)-dione by density functional theory calculations O Prasad, L Sinha, N Misra, V Narayan, N Kumar, J Pathak Journal of molecular structure: Theochem 940 (1-3), 82-86, 2010 | 96 | 2010 |
| FT-IR spectroscopy, intra-molecular C− H⋯ O interactions, HOMO, LUMO, MESP analysis and biological activity of two natural products, triclisine and rufescine: DFT and QTAIM … AK Srivastava, AK Pandey, S Jain, N Misra Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 136, 682-689, 2015 | 89 | 2015 |
| An in-depth study of the electrical characterization of supercapacitors for recent trends in energy storage system S Satpathy, NK Misra, D kumar Shukla, V Goyal, BK Bhattacharyya, ... Journal of Energy Storage 57, 106198, 2023 | 79 | 2023 |
| Novel (Li2X)+(LiX2)− supersalts (X = F, Cl) with aromaticity: a journey towards the design of a new class of salts A Srivastava, N Misra Molecular Physics, 2014 | 64 | 2014 |
| Intramolecular charge transfer and hydrogen bonding interactions of nonlinear optical material N-benzoyl glycine: Vibrational spectral study D Sajan, HJ Ravindra, N Misra, IH Joe Vibrational Spectroscopy 54 (1), 72-80, 2010 | 63 | 2010 |
| Superalkali-hydroxides as strong bases and superbases AK Srivastava, N Misra New Journal of Chemistry 39 (9), 6787-6790, 2015 | 62 | 2015 |
| 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 | 55 | 2015 |
| Hydrogenated superhalogens behave as superacids AK Srivastava, N Misra Polyhedron 102, 711-714, 2015 | 51 | 2015 |
| Novel Li3X3 supersalts (X= F, Cl, Br & I) and their alkalide characteristics MN Srivastava, Ambrish Kumar New Journal of Chemistry, 2014 | 51 | 2014 |
| Synthesis, crystal growth, thermal studies and scaled quantum chemical studies of structural and vibrational spectra of the highly efficient organic NLO crystal: 1-(4 … L Joseph, D Sajan, V Shettigar, K Chaitanya, N Misra, T Sundius, I Němec Materials Chemistry and Physics 141 (1), 248-262, 2013 | 47 | 2013 |
| Vibrational dynamics and potential energy distribution of two well-known neurotransmitter receptors: tyramine and dopamine hydrochloride SA Siddiqui, A Dwivedi, PK Singh, T Hasan, S Jain, N Sundaraganesan, ... Journal of Theoretical and Computational Chemistry 8 (03), 433-450, 2009 | 45 | 2009 |
| Quantum chemical study of Etodolac (Lodine) A Dwivedi, N Misra Der Pharma Chemica 2 (2), 58-65, 2010 | 44 | 2010 |
| Theoretical investigation on the structure, stability and superhalogen properties of OsFn (n= 1–7) species AK Srivastava, N Misra Journal of Fluorine Chemistry 158, 65-68, 2014 | 43 | 2014 |
| 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 | 40 | 2020 |
| OLi3O− anion: designing the strongest base to date using OLi3 superalkali AK Srivastava, N Misra Chemical Physics Letters 648, 152-155, 2016 | 38 | 2016 |
| 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 | 37 | 2019 |
| 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 | 37 | 2017 |
| 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 | 37 | 2016 |
| Superhalogens as building blocks of complex hydrides for hydrogen storage AK Srivastava, N Misra Electrochemistry Communications 68, 99-103, 2016 | 36 | 2016 |
Ambrish K. SrivastavaAssistant Professor of Physics, Deen Dayal Upadhyaya Gorakhpur University, GorakhpurVerified email at ddugu.ac.in