| Molecular orbital studies (hardness, chemical potential, electrophilicity, and first electron excitation), vibrational investigation and theoretical NBO analysis of 2-hydroxy-5 … A Nataraj, V Balachandran, T Karthick Journal of Molecular Structure 1031, 221-233, 2013 | 82 | 2013 |
| FT-Raman, FT-IR, UV spectra and DFT and ab initio calculations on monomeric and dimeric structures of 3, 5-pyridinedicarboxylic acid A Nataraj, V Balachandran, T Karthick, M Karabacak, A Atac Journal of molecular structure 1027, 1-14, 2012 | 58 | 2012 |
| A lignin polymer nanocomposite based electrochemical sensor for the sensitive detection of chlorogenic acid in coffee samples TK Rajasekhar Chokkareddy, Gan G. Redhi Heliyon 5 (3), Article No - e01457, 2019 | 55 | 2019 |
| Computational approaches to find the active binding sites of biological targets against busulfan T Karthick, P Tandon Journal of molecular modeling 22, 1-9, 2016 | 52 | 2016 |
| Physicochemical and Pharmacokinetic Analysis of Anacardic Acid Derivatives NN Fahmina Zafar, Anjali Gupta, Karthick Thangavel, Kavita Khatana, Ali ... ACS Omega 5 (11), 6021-6030, 2020 | 49 | 2020 |
| Molecular structure, vibrational spectra, first hyperpolarizability and HOMO–LUMO analysis of p-acetylbenzonitrile using quantum chemical calculation A Nataraj, V Balachandran, T Karthick Journal of molecular structure 1038, 134-144, 2013 | 40 | 2013 |
| Rotational isomers, vibrational assignments, HOMO–LUMO, NLO properties and molecular electrostatic potential surface of N-(2 bromoethyl) phthalimide T Karthick, V Balachandran, S Perumal, A Nataraj Journal of molecular structure 1005 (1-3), 202-213, 2011 | 40 | 2011 |
| Molecular structure, spectroscopic (FT-IR, FT-Raman) studies and first-order molecular hyperpolarizabilities, HOMO–LUMO, NBO analysis of 2-hydroxy-p-toluic acid V Balachandran, A Nataraj, T Karthick Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 104, 114-129, 2013 | 39 | 2013 |
| Vibrational optical activity of intermolecular, overtone, and combination bands: 2-chloropropionitrile and α-pinene P Michal, R Čelechovský, M Dudka, J Kapitán, M Vůjtek, M Berešová, ... The Journal of Physical Chemistry B 123 (9), 2147-2156, 2019 | 25 | 2019 |
| Vibrational (FT-IR and FT-Raman) spectra and quantum chemical studies on the molecular orbital calculations, chemical reactivity and thermodynamic parameters of 2-chloro-5 … T Karthick, V Balachandran, S Perumal, A Nataraj Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 107, 72-81, 2013 | 24 | 2013 |
| FT-IR and Raman spectra, DFT and SQMFF calculations for geometrical interpretation and vibrational analysis of 3-nitro-p-toluic acid A Nataraj, V Balachandran, T Karthick Journal of molecular structure 1022, 94-108, 2012 | 24 | 2012 |
| Spectroscopic studies, HOMO–LUMO and NBO calculations on monomer and dimer conformer of 5-nitrosalicylic acid T Karthick, V Balachandran, S Perumal, A Nataraj Journal of molecular structure 1005 (1-3), 192-201, 2011 | 21 | 2011 |
| Origins of Optical Activity in an Oxo-Helicene: Experimental and Computational Studies PB Taye B. Demissie, M. Shyam Sundar, Karthick Thangavel, Valery ... ACS omega, 2021 | 20 | 2021 |
| A study on interwoven hydrogen bonding interactions in new zidovudine-picric acid (1: 1) cocrystal through single crystal XRD, spectral and computational methods U Likhitha, B Narayana, BK Sarojini, SM Kumar, AG Lobo, T Karthick Journal of Molecular Structure 1211, 128052, 2020 | 19 | 2020 |
| Vibrational spectroscopic studies, molecular orbital calculations and chemical reactivity of 6-nitro-m-toluic acid V Balachandran, T Karthick, S Perumal, A Nataraj Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 92, 137-147, 2012 | 19 | 2012 |
| Molecular structure and quantum descriptors of cefradine by using vibrational spectroscopy (IR and Raman), NBO, AIM, chemical reactivity and molecular docking MK Chaudhary, T Karthick, BD Joshi, P Prajapati, MSA de Santana, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 246, 118976, 2021 | 18 | 2021 |
| Molecular structure, spectroscopic signature and reactivity analyses of paracetamol hydrochloride monohydrate salt using density functional theory calculations K Srivastava, A Shukla, T Karthick, SP Velaga, P Tandon, K Sinha, ... CrystEngComm 21 (5), 857-865, 2019 | 18 | 2019 |
| Spectroscopic investigations, molecular interactions, and molecular docking studies on the potential inhibitor “thiophene-2-carboxylicacid” T Karthick, V Balachandran, S Perumal Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 141, 104-112, 2015 | 18 | 2015 |
| Structural, spectroscopic and computational investigations on (4, 6-dimethyl-benzofuran-3-yl)-acetic acid hydrazide SS Khemalapure, SM Hiremath, CS Hiremath, VS Katti, ... Journal of Molecular Structure 1220, 128748, 2020 | 17 | 2020 |
| Conformational study and vibrational spectroscopic (FT-IR and FT-Raman) analysis of an alkaloid-borreverine derivative S Singh, H Singh, T Karthick, P Tandon, DH Dethe, RD Erande Analytical Sciences 33 (1), 99-104, 2017 | 17 | 2017 |
Poonam TandonLucknow UniversityVerified email at lkouniv.ac.in
