| A combined experimental and quantum chemical (DFT and AIM) study on molecular structure, spectroscopic properties, NBO and multiple interaction analysis in a novel ethyl 4-[2 … R.N. Singh, Amit Kumar, R.K. Tiwari, Poonam Rawat, V.P. Gupta Journal of Molecular Structure 1035 (13 March), 427–440, 2013 | 95 | 2013 |
| A combined experimental and theoretical (DFT and AIM) studies on synthesis, molecular structure, spectroscopic properties and multiple interactions analysis in a novel Ethyl-4 … RN Singh, A Kumar, RK Tiwari, P Rawat Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 112, 182-190, 2013 | 77 | 2013 |
| 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 |
| Diosgenin and other steroid drug precursors LV Asolkar, YR Chadha, PS Rawat Publications and Information Directorate, CSIR, 1979 | 46 | 1979 |
| Quantum chemical study on influence of intermolecular hydrogen bonding on the geometry, the atomic charges and the vibrational dynamics of 2,6-dichlorobenzonitrile Parag Agarwal, Saba Bee, Archana Gupta, Poonam, Poonam Rawat Spectrochim Acta A Mol Biomol Spectrosc. 121 (Mar 5), 464-82, 2014 | 41* | 2014 |
| Molecular structure, heteronuclear resonance assisted hydrogen bond analysis, chemical reactivity and first hyperpolarizability of a novel ethyl-4-{[(2, 4-dinitrophenyl … RN Singh, A Kumar, RK Tiwari, P Rawat, V Baboo, D Verma Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 92, 295-304, 2012 | 39 | 2012 |
| Quantum chemical study of a new reaction pathway for the adenine formation in the interstellar space VP Gupta, P Tandon, P Rawat, RN Singh, A Singh Astronomy & Astrophysics 528, A129, 2011 | 39 | 2011 |
| Spectral analysis, structural elucidation and evaluation of chemical reactivity of synthesized ethyl-4-[(2-cyano-acetyl)-hydrazonomethyl]-3, 5-dimethyl-1H-pyrrole-2-carboxylate … P Rawat, RN Singh Journal of Molecular Structure 1074, 201-212, 2014 | 35 | 2014 |
| Synthesis Molecular Structure and Spectral Analysis o f Ethyl 4-Formyl-3, 5-Dimethyl 1H-Pyrrole-2-Carboxylate Thiosemicarbazone: A Combined DFT and AIM Approach RN Singh, A Kumar, RK Tiwari, P Rawat, D Verma J. Mol. Stru 1016, 97-108, 2012 | 35 | 2012 |
| Molecular structure, spectral studies, intra and intermolecular interactions analyses in a novel ethyl 4-[3-(2-chloro-phenyl)-acryloyl]-3, 5-dimethyl-1H-pyrrole-2-carboxylate … RN Singh, V Baboo, P Rawat, A Kumar, D Verma Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 94, 288-301, 2012 | 31 | 2012 |
| Antimycobacterial, antimicrobial activity, experimental (FT-IR, FT-Raman, NMR, UV-Vis, DSC) and DFT (transition state, chemical reactivity, NBO, NLO) studies on pyrrole … P Rawat, RN Singh, A Ranjan, S Ahmad, R Saxena Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 179, 1-10, 2017 | 26 | 2017 |
| Evaluation of molecular assembly, spectroscopic interpretation, Intra-/Inter molecular Hydrogen Bonding and chemical reactivity of two Pyrrole Precursors P Rawat, RN Singh Journal of Molecular Structure 1075, 462-470, 2014 | 26 | 2014 |
| Synthesis, molecular structure, hydrogen-bonding, NBO and chemical reactivity analysis of a novel 1, 9-bis (2-cyano-2-ethoxycarbonylvinyl)-5-(4-hydroxyphenyl)-dipyrromethane: a … RN Singh, A Kumar, RK Tiwari, P Rawat Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 113, 378-385, 2013 | 25 | 2013 |
| Synthesis, molecular structure, and spectral analyses of ethyl-4-[(2,4-dinitrophenyl)-hydrazonomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate RN Singh, A Kumar, RK Tiwari, P Rawat, R Manohar Structural Chemistry 24, 713-724, 2013 | 25 | 2013 |
| Spectral analysis, structural elucidation, and evaluation of both nonlinear optical properties and chemical reactivity of a newly synthesized ethyl-3, 5-dimethyl-4 … RN Singh, P Rawat Journal of molecular structure 1054, 65-75, 2013 | 23 | 2013 |
| Assessment of conformational, spectral, antimicrobial activity, chemical reactivity and NLO application of Pyrrole-2, 5-dicarboxaldehyde bis (oxaloyldihydrazone) P Rawat, RN Singh Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 140, 344-355, 2015 | 21 | 2015 |
| Studies on molecular weaker interactions, spectroscopic analysis and chemical reactivity of synthesized ethyl 3,5-dimethyl-4-[3-(2-nitro-phenyl)-acryloyl]-1H-pyrrole-2 … R.N. Singh, Vikas Baboo, Poonam Rawat, V.P. Gupta Journal of Molecular Structure 1037 (10 April), 338–351, 2013 | 21 | 2013 |
| Study of antimicrobial and antioxidant activities of pyrrole-chalcones P Rawat, RN Singh, A Ranjan, A Gautam, S Trivedi, M Kumar Journal of Molecular Structure 1228, 129483, 2021 | 20 | 2021 |
| Experimental and theoretical study of 4-formyl pyrrole derived aroylhydrazones P Rawat, RN Singh Journal of Molecular Structure 1084, 326-339, 2015 | 20 | 2015 |
| Evaluation of antituberculosis activity and DFT study on dipyrromethane-derived hydrazone derivatives P Rawat, RN Singh, P Niranjan, A Ranjan, NRF Holguín Journal of Molecular Structure 1149, 539-548, 2017 | 19 | 2017 |
R. N. Singh (Ram Niwas Singh)Professor of Chemistry, University of Lucknow, LucknowVerified email at lkouniv.ac.in
