Professor and Dean, Principal Investigator, Centre for Theoretical & Computational Chemistry (CTCC), St Berchmans College (Autonomous), Mahatma Gandhi University, Changanassery, Kerala, India.
Metalfree cycloaddition in New Journal of Chemistry
The paper investigates the metal-free [3+2] cycloaddition reaction between phenyl azide and phenyl enaminone to selectively synthesize 1,2,3-triazoles. Using computational methods, it explores the reaction pathways (1,4- and 1,5-pathway), solvent effects, and the impact of phenyl azide substituents, offering insights into the reaction mechanism and the role of water as a solvent and catalyst.
View
Rajimon : Schiff base derived from 4-Chloroaniline and 2-Formylphenol
PhD student Rajimon KJ's 6th first-authored paper in Journal of Molecular Structure (Elsevier). Comprehensive assessment of schiff base derived from 4-Chloroaniline and 2-Formylphenol: Molecular architecture, experimental with computational bioactivity profiling, emphasizing anticancer efficacy against pulmonary and mammary carcinoma cell models
View
Cu-Schiff base complex in Polyhedron
PhD student Rajimon KJ's 7th first-authored paper was published in Polyhedron (Elsevier). Structural, spectroscopic, and biological properties of an asymmetric Cu (II) Schiff-base complex: Synthesis, DNA/BSA interactions, and antimicrobial potential with experimental and computational insights
View
Collaborative paper with Prof BK Sarojini, Mangalaore University
Supramolecular and computational analysis of Fluconazole −2−chloro−5−nitrobenzoic acid cocrystal. PhD student, Rajimon KJ was a visitor at her lab last year.
View
Mission Statement
Fundamental Chemical Bonding & Interactions
Theoretical Solvation Science
Advanced Materials & Catalysis
Computational Drug Design & Medicinal Chemistry
Shaping the Future of Chemistry
Lecture at University of Nis, Serbia
Plasma Physics Lab, Novi Sad
Me and Anila with Stevan and Sanja Armakovic at Novi Sad, Serbia
Sreelakshmi, MSc student receives the KA Antony Kandathil Award for the Research Excellence in college- 2024
Sreelakshmi N, our MSc student, is selected for the KA Antony Kandathil Award for Research Excellence in college for his paper published in Chemical Physics Impact.