Renjith Thomas

22PUBLICATIONS
12CO-AUTHORS
Computational chemistryMain group metal chemistryRadiation and matterNoise and wave pollution processes and measurementMetal organic frameworks
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Publications (22)

|Sep 17, 2026
Physics-informed conformal prediction of aromatic C-H site selectivity: guaranteed coverage prediction sets for electrophilic aromatic substitution.

|Jul 17, 2026
Electron Affinity of Actinide (IV) Carboxylate Complexes From MN12-L Density-Functional Calculations and Explainable Machine Learning.

|Jul 01, 2026
Ligand-dependent electronic structure, bonding, and optical properties of M(L)(CO)2 complexes (L = acac, Cp, Cp; M = Fe, Co, Ni, Ru, Rh, Pd, Os, Ir, Pt): a systematic DFT/TD-DFT study.

|May 29, 2026
Interpretable machine-learning prediction of DFT energies per atom and identification of magic numbers in coinage-metal nanoclusters (N ≤ 55) from the open quantum cluster database.

|May 18, 2026
A DFT Study on the Interaction Mechanisms and Adsorption-Induced Raman Spectral Changes of Tire-Derived Contaminants 6PPD/6PPD‑Q with Au16 Nanoclusters.

|Apr 20, 2026
Mechanistic and electronic structure insights into formate formation in uranium and related actinide complexes.

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Frequent Collaborators

9 joint publications

Ali A Khairbek

2 joint publications

Mohammad Abd-Al Hakim Badawi

2 joint publications

Ralph Puchta

2 joint publications

Samy F Mahmoud