‪Thayalaraj Christopher Jeyakumar‬

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Dr. Murugesan SankarganeshSaveetha School of Engineering, SIMATS, Saveetha UniversityVerified email at saveetha.com
Renjith ThomasSt Berchmans College, Assistant Professor (Stage-3) of ChemistryVerified email at sbcollege.ac.in
Parthiban AScientist, NIPER, GuwahatiVerified email at niperguwahati.in
Arumugam SakthivelAssistant Professor in Chemistry, Mepco Schlenk Engineering College, SivakasiVerified email at mepcoeng.ac.in
Dr. ADWIN JOSE PAssociate ProfessorVerified email at egspec.org
Dhaveethu Raja JAssistant Professor, Department of Chemistry, The American College, Madurai, Tamil Nadu, IndiaVerified email at americancollege.edu.in
Dr. Sachithanandam VNational Centre for Sustainable Coastal ManagementVerified email at ncscm.res.in
Purvaja RamachandranDivision Chair and Scientist - G; NCSCM, MoEF, INDIA.Verified email at ncscm.org
Sambath BaskaranKorea Advanced Institute of Science and Technology (KAIST)Verified email at kaist.ac.kr
antony sandoshAssistant professor of chemistry, St. Joseph 's college of arts and science (Autonomous), Cuddalore, Tamil naduVerified email at sjctnc.edu.in
Dr. Monika JainAssistant Professor, Sharda universityVerified email at sharda.ac.in
Dr. J. MuthukumaranAssociate Professor, Sharda UniversityVerified email at sharda.ac.in
Dr.P.LalithaProfessor , Avinashilingam Institute for Home Science and Higher Education for WomenVerified email at avinuty.ac.in
Rengarajan SridharNational Centre for Sustainable Coastal ManagementVerified email at ncscm.res.in
Prof. Ramesh RamachandranFounder Director, National Centre for Sustainable Coastal ManagementVerified email at annauniv.edu
Brightson Arul JacobAssistant professor, THE AMERICAN COLLEGEVerified email at americancollege.edu.in
Sivasankar Chinnappan

Thayalaraj Christopher Jeyakumar

Department of Chemistry, The American College, Madurai, India-625002

Verified email at americancollege.edu.in

Computational chemistry catalysis


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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	22	2021
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	21	2021
Group 13 monohalides [AX (A= B, Al, Ga and 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 1209, 113587, 2022	20	2022
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	19	2020
Indolyl-4H-chromenes: Multicomponent one-pot green synthesis, in vitro and in silico, anticancer and antioxidant studies PM Parthian Anaikutti, Mangalaraj Selvaraj, J Prabhakaran, T Pooventhiran ... Journal of Molecular Structure 133464, 2022	18	2022
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	17	2019
Vanillin based colorimetric and fluorometric chemosensor for detection of Cu (II) ion: DFT calculation, DNA/BSA interaction and molecular docking studies S Gurusamy, RN Asha, M Sankarganesh, TC Jeyakumar, A Mathavan Inorganic Chemistry Communications 143, 109716, 2022	14	2022
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	14	2020
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	13	2021
Synthesis, in vitro, in silico and DFT studies of indole curcumin derivatives as potential anticancer agents A Parthiban, R Sivasankar, B Rajdev, RN Asha, TC Jeyakumar, ... Journal of Molecular Structure 1270, 133885, 2022	12	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	10	2021
Possibility of reducing the coordinated dinitrogen into ammonia and hydrazine using [Ru-L] (L = triamidoamine) and FLP-H: A DFT study T Christopher Jeyakumar, S Baskaran, C Sivasankar Journal of Chemical Sciences 130, 1-10, 2018	10	2018
Experimental and theoretical studies of novel Schiff base based on diammino benzophenone with formyl chromone – BPAMC TCJ Antony Raj Innasiraj, Balamurugan Anandhi, Yakkobu Gnanadeepam, Niloy ... Journal of Molecular Structure 1265, 133450, 2022	9	2022
Green synthesis of gold nanoparticles using quercetin biomolecule from mangrove plant, Ceriops tagal: Assessment of antiproliferative properties, cellular uptake and DFT studies A Parthiban, V Sachithanandam, S Sarangapany, R Misra, ... Journal of Molecular Structure 1272, 134167, 2023	7	2023
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 41 (7), 2848-2860, 2023	6	2023
Investigating the structure, bonding, and energy decomposition analysis of group 10 transition metal carbonyls with substituted terminal germanium chalcogenides [M (CO) 3Ge X … RR Priyadharsan, RA Timothy, JM Thomas, TC Jeyakumar, R Rajaram, ... Journal of Molecular Modeling 29 (11), 344, 2023	5	2023
A DFT study on structural and bonding analysis of transition-metal carbonyls [M(CO)4] with terminal silicon chalcogenides complexes [M(CO)3SiX] (M = Ni, Pd, and Pt; X = O, S … Palani Vetri, Francisxavier Paularokiadoss, Christian A. Celaya, L. Mary ... Journal of computational and theoretical chemistry 1226, 114214, 2023	5*	2023
Structural analysis and chemical descriptors analysis of 4‐aminopyridine adsorbed on M₄ (M = Co, Ni, Cu) clusters: A DFT study A Pahuja, TC Jeyakumar, F Paularokiadoss Vietnam Journal of Chemistry 60 (3), 376-388, 2022	5	2022
Molecular and electronic structure analysis of [Fe(CO)₄(SiX)] (X = O, S, Se and Te): a DFT study TC Jeyakumar, JM Thomas, AK Sivan, C Sivasankar Journal of Chemical Sciences 135 (1), 18, 2023	4	2023
Molybdenum bound nitrogen‐doped graphene catalyst for reduction of N2 to NH3 and NH2NH2, using FLP as a co‐catalyst: A DFT study: N2 reduction by FLP‐H2 catalysed by Mo AK Sivan, JM Thomas, TC Jeyakumar, C Sivasankar Applied Organometallic Chemistry 36 (5), e6644, 2022	3	2022

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