Thayalaraj Christopher Jeyakumar
Thayalaraj Christopher Jeyakumar
Department of Chemistry, The American College, Madurai, India-625002
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A DFT study on structural and bonding analysis of transition-metal carbonyls with terminal haloborylene ligands [M (CO) 3 (BX)](M= Ni, Pd, and Pt; X= F, Cl, Br, and I)
F Paularokiadoss, A Sekar, TC Jeyakumar
Computational and Theoretical Chemistry 1177, 112750, 2020
Dehydrogenation of formic acid catalysed by M-embedded nitrogen-doped graphene (M= Fe, Ru, Os): a DFT study
TC Jeyakumar, C Sivasankar
New Journal of Chemistry 43 (3), 1440-1448, 2019
Water soluble Cu (II) and Zn (II) complexes of bidentate-morpholine based ligand: synthesis, spectral, DFT calculation, biological activities and molecular docking studies
GS Senthilkumar, M Sankarganesh, J Dhaveethu Raja, PR Adwin Jose, ...
Journal of Biomolecular Structure and Dynamics 40 (3), 1074-1083, 2021
Synthesis, characterization, DFT calculation, biological and molecular docking of Cu (II) complex of pyrimidine derived Schiff base ligand
SHS Saleem, M Sankarganesh, JD Raja, PRA Jose, A Sakthivel, ...
Journal of Saudi Chemical Society 25 (4), 101225, 2021
Theoretical studies of group 10 metal gallylene complexes [TM (CO) 3 (GaX)]
F Paularokiadoss, TA Sandosh, A Sekar, TC Jeyakumar
Computational and Theoretical Chemistry 1197, 113139, 2021
Coordination of indium monohalide with group-10 metal carbonyls [TM(CO)3(InX)]: a DFT study
F Paularokiadoss, A Sekar, TC Jeyakumar
Chemical Papers, 2020
Possibility of reducing the coordinated dinitrogen into ammonia and hydrazine using [Ru-L] (L = triamidoamine) and FLP-H 2 : A DFT study
T Christopher Jeyakumar, S Baskaran, C Sivasankar
Journal of Chemical Sciences 130 (6), 1-10, 2018
Group13 Monohalides [AX (A= B, Al, Ga, In; X= Halogens)] as Alternative Ligands for Carbonyl in Organometallics: Electronic Structure and Bonding Analysis
F Paularokiadoss, TC Jeyakumar, R Thomas, A Sekar, D Bhakiaraj
Computational and Theoretical Chemistry, 113587, 2022
Chemistry of group‑10 metals monohaloalumylene complexes [TM(CO)3AlX]: a DFT study
S Alagan, P · Francisxavier, I · Selvaraj, CJ · Thayalaraj
Theoretical Chemistry Accounts 140, 101, 2021
Computational studies of adsorption of dinitrogen over the group 8 metal-borazine complexes
L Devi, P Kuzhalmozhi Madarasi, T Christopher Jeyakumar
Chemical Papers 76 (3), 1539-1552, 2021
Micellar catalysis on the electron transfer reactions of iron(III)-polypyridyl complexes with sulfur-containing amino acids
John Adaikalasamy K, Rajagopal S, Jancirani A, Brighton Arul Jacob Y, T ...
chemical paper, 2022
Molybdenum bound nitrogen-doped graphene catalyst for reduction of N2 to NH3 and NH2NH2, using FLP as a co-catalyst: A DFT study
Akhil K. Sivan, Jisha Mary Thomas, Thayalaraj Christopher Jeyakumar ...
Appl Organomet Chem 6644, 2022
Isolation and biological evaluation 7-hydroxy flavone from Avicennia officinalis L: insights from extensive in vitro, DFT, molecular docking and molecular dynamics …
A Parthiban, V Sachithanandam, P Lalitha, D Elumalai, RN Asha, ...
Journal of Biomolecular Structure and Dynamics, 1-13, 2022
Application of Density Functional Theory in Coordination Chemistry: A Case Study of Group 13 Monohalide as a Ligand
TC Jeyakumar, F Paularokiadoss
Density Functional Theory-Recent Advances, New Perspectives and Applications, 2021
Correction to: Coordination of indium monohalide with group-10 metal carbonyls [TM (CO) 3 (InX)]: a DFT study
P Francis, S Alagan, CJ Thayalraj
Chemical Papers 75 (2), 837-837, 2021
Construction of frustrated Lewis pair from nitride and phosphine for the activation and cleavage of molecular hydrogen
T Christopher Jeyakumar, M Deepa, S Baskaran, C Sivasankar
Applied Organometallic Chemistry 34 (10), e5811, 2020
Synthesis, Characterization andDNA binding affinities of mixed ligand Cu(II)complexes of 3-((E)-(2-hydroxyphenylimino)methyl)-4H-chromen-4-one
D. Jim Livingston, C. Joel, R. Biju Bennie, Thayalaraj Christopher Jeyakumar ...
International Journal of Emerging Technologies and Innovative Research 6 (6 …, 2019
DFT Studies on the Adsorption of CFC over the Copper Embedded Nitrogen Doped Graphene
Thayalaraj Christopher Jeyakumar, F. Paularokiadoss, A. Sekar
International Journal of Emerging Technologies and Innovative Research 4 (6 …, 2019
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