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physics.chem-ph2026★ 2 cited
Mass-Scaling of Quantum Tunnelling in Hydrogen Bonds: Analytical Model and Comparison with Multidimensional Potentials
Krishna Kingkar Pathak
Quantum tunnelling plays a central role in the structure and spectroscopy of hydrogen-bonded systems, and its sensitivity to isotopic substitution provides a stringent probe of the…
physics.chem-ph2025
Benchmarking Proton Tunneling Splittings with a Wavefunction-Based Double-Well Model: Application to the Formic Acid Dimer
Krishna Kingkar Pathak
Proton tunneling across hydrogen bonds is a fundamental quantum effect with implications for spectroscopy, catalysis, and biomolecular stability. While state-of-the-art instanton a…
physics.chem-ph2025
Quantum Tunnelling Across Hydrogen Bonds: Proton--Deuteron Isotope Effects from a Cornell-Type Potential Model
Krishna Kingkar Pathak
Hydrogen bonds play a pivotal role in chemistry, biology, and condensed-matter physics, where quantum tunnelling can strongly influence structure and dynamics. Isotope substitution…