St. Berchmans College

University / College


Location: Kerala, India (IN) IN

ISNI: 0000000417664022

ROR: https://ror.org/00h4spn88

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Types of publications

Journal article
Book chapter / Article in edited volumes
Authored book
Translation
Thesis
Edited Volume
Conference contribution
Other publication type
Unpublished / Preprint

Publication year

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Abstract

Journal

A Comparative DFT Study of Pd- and Ni-Based Catalysts in the Narasaka–Heck/C(sp3)–H Activation Reaction (2026) Thomas R, Al-Zaben MI, Alzahrani AYA, Puchta R, Khairbek AA Journal article Protonation-Induced Planarization and Aromaticity Enhancement in Diazahelicenes: A Route to Stronger Bases (2026) Mathew M, Puchta R, Thomas R Journal article Mechanistic and electronic structure insights into formate formation in uranium and related actinide complexes (2026) Khairbek AA, Al-Zaben MI, Abdullah Alzahrani AY, Puchta R, Thomas R Journal article Exploring the influence of halogen-substituted Cp*RuX catalysts on RuAAC [3 + 2] cycloaddition: A quantum mechanical investigation” (2025) Khairbek AA, Al-Zaben MI, Puchta R, Thomas R Journal article Computational study on novel RhCpX (X = CF3, SiF3, CCl3, SO3H) as promising catalysts in the [3 + 2] azide-alkyne cycloaddition reaction: insights into mechanistic pathways and reactivity (2025) Khairbek AA, Abd-Al Hakim Badawi M, Alzahrani AY, Puchta R, Thomas R Journal article Investigation of Huisgen's Noble metal catalyst click reaction mechanism for the synthesis of 1,4-disubstituted 1,2,3-triazoles (2024) Khairbek AA, Al-Zaben MI, Puchta R, Badawi MAAH, Thomas R Journal article Proton affinity Revisited: Benchmarking computational approaches for accurate predictions (2024) Mathew M, Puchta R, Thomas R Journal article Detailed Structural Examination, Quantum Mechanical Studies of the Aromatic Compound Solarimfetol and Formation of Inclusion Compound with Cucurbituril (2021) Pooventhiran T, Cheriet M, Bhattacharyya U, Irfan A, Puchta R, Sowrirajan S, Thomas R Journal article