Publications

2001-2006 | 2007-2010 | 2010-2015| 2015-2020 | 2020-2025

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1. Eco-friendly synthesis and structural determination of pyrene fused pyrroloquinolinone hybrid, Rajesh Raju, Raghavacharry Raghunathan, Natarajan Arumugam, Abdulrahman I Almansour, Raju Suresh Kumar, Ramanathan Padmanaban, Santhakumar Yeswanthkumar, Vijayan Viswanathan, Karthikeyan Perumal.

2. Anti‐Stokes Fluorescence and Nonlinear Optical Properties of the Functionalized Phenoxazine‐based Dye: A computational study, Muhammed Jeneesh Kariyottu Kuniyil, Ramanathan Padmanaban, ChemistrySelect, 42(6), 11706(2021).

3.  Design, stereoselective synthesis, computational studies and cholinesterase inhibitory activity of novel spiropyrrolidinoquinoxaline tethered indole hybrid heterocycle, Natarajan Arumugam, Abdulrahman I Almansour, Raju Suresh Kumar, Santhakumar Yeswanthkumar, Ramanathan Padmanaban, Yuvaraj Arun, Sevgi Kansız, Necmi Dege, Thota Sai Manohar, S Venketesh, J.Mol.struc. 1225, 129165(2021).

4. Coriolis coupling and isotopic effects on the quantum dynamics of H(2S) + NaH reaction,  S. Yeswanth Kumar, P. Sundaram & R. Padmanaban,  Eur. Phys. J. D 75, 62 (2021).

5. A stereo, regioselective synthesis and discovery of antimycobaterium tuberculosis activity of novel β-lactam grafted spirooxindolopyrrolidine hybrid heterocycles, Natarajan Arumugam, Abdulrahman I Almansour, Raju Suresh Kumar, Vagolu Siva Krishna, Dharmarajan Sriram, Ramanathan Padmanaban, Arab. J. Chem. 14(2), 102938(2021).

6. A facile synthesis and molecular structure determination of a novel class of 1, 3, 4-oxadiazoles, Vijayan Viswanathan, Muniyappan Govindhan, Kathavarayan Subramanian, Devadasan Velmurugan, Ramanathan Padmanaban, SM Mahalingam, Natarajan Arumugam, Abdulrahman I Almansour, Raju Suresh Kumar., J.Mol.struc. 1229, 129752(2020).

7. Coriolis coupling effects on the H(2 S) + CH + (X 1 Σ + ) reaction dynamics in the ground electronic state, P. Sundaram, R. Padmanaban, J Phys B: At. Mol. Opt. Phys, 53, 105201(2020).

8. Theoretical insights into the structural, photophysical and nonlinear optical properties of phenoxazin-3-one dyes, Muhammed Jeneesh K Kuniyil, R. Padmanaban, New J. Chem. 43 (34), 13616-13629 (2019).

9. A chiral bicyclic skeleton-tethered bipyridine–Zn (OTf) 2 complex as a Lewis acid: enantioselective Friedel–Crafts alkylation of indoles with nitroalkenes, K Venkatanna, SY Kumar, M Karthick, R Padmanaban, CR Ramanathan, Org. Biomol. Chem. 17 (16), 4077-4086 (2019).

10. Glucosamine-6-phosphate synthase inhibiting C3-β-cholesterol tethered spiro heterocyclic conjugates: Synthesis and their insight of DFT and docking study, G Periyasami, S Kamalraj, R Padmanaban, SY Kumar, A Stalin, ... Bioorg. Chemistry, 88, 102920 (2019).

11. Spiropyrrolidine/spiroindolizino [6, 7-b] indole heterocyclic hybrids: Stereoselective synthesis, cholinesterase inhibitory activity and their molecular docking study, Natarajan Arumugam, Abdulrahman I Almansour, Raju Suresh Kumar, Mohammad Altaf, R Padmanaban, Popuri Sureshbabu, Gnanavel Angamuthu, D Kotresha, Thota Sai Manohar, S Venkatesh,  Bioorg. Chem, 79, 64 (2018).

12. Effects of functionalization on the electronic and absorption properties of the smaller diamondoids: a computational study, Muhammed Jeneesh KK, R. Padmanaban, J. Chem. Sci. 130: 113 (2018).

13. Dynamical resonances of the deuterated CH2+ complex in the electronic ground state: A quantum wavepacket study, P Sundaram, R Padmanaban, J. Chem. Phys. 148, 164306 (2018).

14. Nonlinear optical and G-Quadruplex DNA stabilization properties of novel mixed ligand copper(II) complexes and coordination polymers: Synthesis, structural characterization and computational studies, Bathula Rajasekhar, Navya Bodavarapu, M.Sridevi, G.Thamizhselvi, K.RizhaNazar, R. Padmanaban, Toka Swu,  J. Mol. Struct. 1156, 690-699 (2018).

15. Dynamics and resonances of the H(2 S)+ CH+(X 1 Σ+) reaction in the electronic ground state: a detailed quantum wavepacket study, P. Sundaram, V. Manivannan, R. Padmanaban, Phys. Chem. Chem. Phys. 19, 20172-20187 (2017).

16. Quantum wavepacket dynamics of the N (4S)+ NO (X2Π) reaction and its isotopic variants: Integral cross sections and thermal rate constants, V Manivannan, R. Padmanaban, Chem. Phys. 475, 83-89 (2016).

17. An expedient pseudo four-component synthesis......and DFT studies, A. I. Almansour, N. Arumugam, R. S. Kumar, R. Padmanaban, V. B. Rajamanikandan, H. A. Ghabbour, H.-Kun Fun, J. Mol. Str. 1063, 283-288 (2014).

18. Extended hydrodynamic approach to quantum-classical nonequilibrium evolution. II. Application to nonpolar salvation, K. H. Hughes, S. N. Baxter, D. Bousquet, R. Padmanaban, and I. Burghardt, J. Chem. Phys. 136, 014102 (2012).

19. Origin of electronic structure and time-dependent state averaging in the multi-configuration time-dependent Hartree-Fock approach to electron dynamics, R. Padmanaban and M. Nest, Chem. Phys. Lett. 463, 263-266 (2008).

20. Time-dependent approach to electronic properties of molecules with the multi-configuration time-dependent Hartree-Fock method, M. Nest, R. Padmanaban, and P. Saalfrank, J. Chem. Phys. 126, 214106 (2007).

21. Nonadiabatic quantum wave packet dynamics of H+H2 (HD) reactions, B. Jayachander Rao, R. Padmanaban, and S. Mahapatra,  Chem. Phys. 333, 135-147 (2007).

22. Book Chapter: Time-dependent wave packet dynamics of the atom-diatom reactive scattering, R. Padmanaban, S. Ghosal, B. J. Rao and S. Mahapatra, (Atomic Structure and Collision Processes, Ed. by Man Mohan, Narosa Publishers, New Delhi), 2010, pg. 267-276.

23. Resonances in H+HLi scattering for nonzero total angular momentum (J>0): A time-dependent wavepacket approach, R. Padmanaban and S. Mahapatra, J. Theo. Comp. Chem. 5, No. 4, 871 (2006).

24. Coriolis-coupled wave packet dynamics of H+HLi reaction, R . Padmanaban and S. Mahapatra, J. Phys. Chem. A 110, 6039-6046 (2006).

25. Quantum wave packet dynamics of H+HLi scattering: Reaction cross section and thermal rate constant, R. Padmanaban and S. Mahapatra, J. Chem. Phys. 121, 7681-7691 (2004); Erratum: 122, 029902 (2005).

26. Resonances in three-dimensional H+HLi scattering: A time-dependent wave packet dynamical study, R. Padmanaban and S. Mahapatra, J. Chem. Phys. 120, 1746-1755 (2004).

27. Time-dependent wave packet dynamics of the H+HLi reactive scattering, R. Padmanaban and S. Mahapatra, J. Chem. Phys. 117, 6469-6477 (2002).