| Vibrational analysis and chemical activity of paracetamol–oxalic acid cocrystal based on monomer and dimer calculations: DFT and AIM approach K Srivastava, MR Shimpi, A Srivastava, P Tandon, K Sinha, SP Velaga RSC advances 6 (12), 10024-10037, 2016 | 76 | 2016 |
| Molecular structure, spectral analysis and hydrogen bonding analysis of ampicillin trihydrate: a combined DFT and AIM approach E Khan, A Shukla, A Srivastava, P Tandon New Journal of Chemistry 39 (12), 9800-9812, 2015 | 64 | 2015 |
| A computational study on conformational geometries, chemical reactivity and inhibitor property of an alkaloid bicuculline with γ-aminobutyric acid (GABA) by DFT A Srivastava, P Rawat, P Tandon, RN Singh Computational and Theoretical Chemistry 993, 80-89, 2012 | 53 | 2012 |
| Studies of molecular structure, hydrogen bonding and chemical activity of a nitrofurantoin-L-proline cocrystal: a combined spectroscopic and quantum chemical approach J Pandey, P Prajapati, MR Shimpi, P Tandon, SP Velaga, A Srivastava, ... RSC advances 6 (78), 74135-74154, 2016 | 49 | 2016 |
| Conformational analysis and vibrational study of daidzein by using FT-IR and FT-Raman spectroscopies and DFT calculations H Singh, S Singh, A Srivastava, P Tandon, P Bharti, S Kumar, R Maurya Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 120, 405-415, 2014 | 48 | 2014 |
| Vibrational spectroscopic, NBO, AIM, and multiwfn study of tectorigenin: A DFT approach S Shukla, A Srivastava, P Kumar, P Tandon, R Maurya, RB Singh Journal of Molecular Structure 1217, 128443, 2020 | 44 | 2020 |
| Molecular structure, spectral investigation (1H NMR, 13C NMR, UV–Visible, FT-IR, FT-Raman), NBO, intramolecular hydrogen bonding, chemical reactivity and first … A Srivastava, R Mishra, S Kumar, K Dev, P Tandon, R Maurya Journal of Molecular Structure 1084, 55-73, 2015 | 44 | 2015 |
| Computational evaluation on molecular stability, reactivity, and drug potential of frovatriptan from DFT and molecular docking approach MK Chaudhary, A Srivastava, KK Singh, P Tandon, BD Joshi Computational and Theoretical Chemistry 1191, 113031, 2020 | 40 | 2020 |
| Solid state characterization of an antioxidant alkaloid boldine using vibrational spectroscopy and quantum chemical calculations A Srivastava, P Tandon, AP Ayala, S Jain Vibrational Spectroscopy 56 (1), 82-88, 2011 | 33 | 2011 |
| Structural, electronic, thermodynamical and charge transfer properties of chloramphenicol palmitate using vibrational spectroscopy and DFT calculations R Mishra, A Srivastava, A Sharma, P Tandon, C Baraldi, MC Gamberini Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 101, 335-342, 2013 | 32 | 2013 |
| Molecular structure, vibrational spectra and HOMO, LUMO analysis of yohimbine hydrochloride by density functional theory and ab initio Hartree–Fock calculations BD Joshi, A Srivastava, P Tandon, S Jain Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 82 (1 …, 2011 | 30 | 2011 |
| Estimates of genetic variability in vegetable amaranth (A. tricolor) over different cuttings S Shukla, A Bhargava, A Chatterjee, A Srivastava, SP Singh HortScience 32, 60-67, 2005 | 29 | 2005 |
| Antagonistic properties of a natural product–Bicuculline with the gamma-aminobutyric acid receptor: Studied through electrostatic potential mapping, electronic and vibrational … A Srivastava, P Tandon, S Jain, BP Asthana Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 84 (1 …, 2011 | 28 | 2011 |
| Study of polymorphism in imatinib mesylate: A quantum chemical approach using electronic and vibrational spectra A Srivastava, BD Joshi, P Tandon, AP Ayala, AK Bansal, D Grillo Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 103, 325-332, 2013 | 23 | 2013 |
| A comparative computational study on molecular structure, NBO analysis, multiple interactions, chemical reactivity and first hyperpolarisability of imatinib mesylate polymorphs … A Srivastava, R Mishra, BD Joshi, V Gupta, P Tandon Molecular Simulation 40 (14), 1099-1112, 2014 | 20 | 2014 |
| Study of molecular structure, vibrational, electronic and NMR spectra of oncocalyxone A using DFT and quantum chemical calculations BD Joshi, A Srivastava, SB Honorato, P Tandon, ODL Pessoa, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 113, 367-377, 2013 | 20 | 2013 |
| Combined spectroscopic and quantum chemical studies of ezetimibe P Prajapati, J Pandey, MR Shimpi, A Srivastava, P Tandon, SP Velaga, ... Journal of Molecular Structure 1125, 193-203, 2016 | 19 | 2016 |
| 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 | 18 | 2010 |
| Molecular structure, spectral investigations, hydrogen bonding interactions and reactivity-property relationship of caffeine-citric acid cocrystal by experimental and DFT approach P Verma, A Srivastava, K Srivastava, P Tandon, MR Shimpi Frontiers in Chemistry 9, 708538, 2021 | 15 | 2021 |
| Vibrational spectra, hydrogen bonding interactions and chemical reactivity analysis of nicotinamide–citric acid cocrystals by an experimental and theoretical approach P Verma, A Srivastava, A Shukla, P Tandon, MR Shimpi New Journal of Chemistry 43 (40), 15956-15967, 2019 | 15 | 2019 |
