| An ab initio and DFT study of structure and vibrational spectra of γ form of Oleic acid: Comparison to experimental data S Mishra, D Chaturvedi, N Kumar, P Tandon, HW Siesler Chemistry and physics of lipids 163 (2), 207-217, 2010 | 51 | 2010 |
| Raman spectroscopic characterization of different regioisomers of monoacyl and diacyl chlorogenic acid PJ Eravuchira, RM El-Abassy, S Deshpande, MF Matei, S Mishra, ... Vibrational Spectroscopy, 2012 | 50 | 2012 |
| Quantum chemical study on influence of intermolecular hydrogen bonding on the geometry, the atomic charges and the vibrational dynamics of 2, 6-dichlorobenzonitrile P Agarwal, S Bee, A Gupta, P Tandon, VK Rastogi, S Mishra, P Rawat Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 121, 464-482, 2014 | 44 | 2014 |
| Molecular structure and vibrational spectroscopic investigation of secnidazole using density functional theory S Mishra, D Chaturvedi, P Tandon, VP Gupta, AP Ayala, SB Honorato, ... The Journal of Physical Chemistry A 113 (1), 273-281, 2009 | 28 | 2009 |
| Study on the structure and vibrational spectra of efavirenz conformers using DFT: Comparison to experimental data S Mishra, P Tandon, AP Ayala Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 88, 116-123, 2012 | 26 | 2012 |
| Quantum chemical and experimental studies on the structure and vibrational spectra of efavirenz S Mishra, D Chaturvedi, A Srivastava, P Tandon, AP Ayala, HW Siesler Vibrational Spectroscopy 53 (1), 112-116, 2010 | 21 | 2010 |
| Vibrational spectroscopy and density functional theory analysis of 3-< i> O</i>-Caffeoylquinic acid S Mishra, P Tandon, PJ Eravuchira, RM El-Abassy, A Materny Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 104, 358–367, 2013 | 18 | 2013 |
| Highly fluorescent water-soluble PTCA incorporated silver nano-cluster for sensing of dopamine T Goswami, A Bheemaraju, A Kataria, A Nag, K Sravani, S Mishra, ... Materials Chemistry and Physics 259, 124086, 2021 | 16 | 2021 |
| Molecular structure, vibrational spectroscopic, NBO and HOMO–LUMO studies of 2-amino 6-bromo 3-formylchromone A Gupta, S Bee, N Choudhary, S Mishra, P Tandon Molecular Simulation 38 (7), 567-581, 2012 | 14 | 2012 |
| Tuning of adsorption energies of CO2 and CH4 in borocarbonitrides BxCyNz: A first-principles study AK Mishra, S Mishra Journal of Molecular Graphics and Modelling 93, 107446, 2019 | 13 | 2019 |
| Two-Dimensional Correlation Analysis of Temperature-Dependent FT-IR Spectra of Oleic Acid M Unger, D Chaturvedi, S Mishra, P Tandon, HW Siesler Taylor & Francis Group, 2012 | 13 | 2012 |
| Vibrational dynamics of poly (β‐hydroxybutyrate)‐α form D Chaturvedi, S Mishra, P Tandon, VD Gupta, HW Siesler Polymer Engineering & Science 49 (5), 850-861, 2009 | 13 | 2009 |
| Molecular structure and vibrational spectroscopic analysis of an antiplatelet drug; clopidogrel hydrogen sulphate (form 2)–A combined experimental and quantum chemical approach A Srivastava, S Mishra, P Tandon, S Patel, AP Ayala, AK Bansal, ... Journal of Molecular Structure 964 (1-3), 88-96, 2010 | 11 | 2010 |
| Effects of chlorpromazine drug on DPPC lipid: Density functional theory study S Mishra, AK Mishra International Journal of Environmental Analytical Chemistry 101 (12), 1773-1784, 2021 | 8 | 2021 |
| Thermal degradation and theoretical interpretation of vibrational spectra of poly (β, l-malic acid) D Chaturvedi, S Mishra, P Tandon, JA Portilla-Arias, S Muñoz-Guerra Polymer 52 (14), 3118-3126, 2011 | 7 | 2011 |
| Conformational symmetry and vibrational dynamics of polymers P Tandon, N Kumar, V Gupta, D Chaturvedi, S Mishra, VD Gupta Pure and Applied Chemistry 81 (3), 549, 2010 | 7 | 2010 |
| Ultra-selective hydrogen sensors based on CuO-ZnO hetero-structures grown by surface conversion B Chakraborty, D Litra, AK Mishra, C Lupan, R Nagpal, S Mishra, H Qiu, ... Journal of Alloys and Compounds 1002, 175385, 2024 | 6 | 2024 |
| Study of molecular structure and vibrational spectra of poly (β,-l-malic acid)[PMLA] using DFT approach D Chaturvedi, S Mishra, P Tandon, JA Portilla-Arias, S Muñoz-Guerra Polymer 53 (13), 2681-2690, 2012 | 6 | 2012 |
| A comparative study of vibrational dynamics of α-and β-forms of poly (β-hydroxybutyrate) D Chaturvedi, S Mishra, P Tandon, VD Gupta, HW Siesler Vibrational Spectroscopy 56 (1), 89-95, 2011 | 6 | 2011 |
| DFT study of structure and vibrational spectra of ceramide 3: comparison to experimental data S Mishra, P Tandon Molecular Simulation 38 (11), 872-881, 2012 | 5 | 2012 |
Abhishek Kumar MishraUniversity of Petroleum and Energy Studies (UPES), University College London, London. JNCASRПодтвержден адрес электронной почты в домене ddn.upes.ac.in