Santra, G.; Pantazis, D. A. Conformational Profile of Galactose-α-1,3-Galactose (α-Gal) and Structural Basis of Its Immunological Response. Chemistry – A European Journal 2025, 31, e202500050.

Santra, G. Revisiting Boron Cluster Dihydrogen Bonding: Improved Reference Energies and Benchmark of Localized Coupled Cluster and DFT Methods. ChemRxiv: the Preprint Server for Chemistry 2025.

Santra, G.; Neese, F.; Pantazis, D. A. Extensive Reference Set and Refined Computational Protocol for Calculations of ⁵⁷Fe Mössbauer Parameters. Physical Chemistry Chemical Physics 2024, 26, 23322–23334.

Santra, G.; Bursch, M.; Wittmann, L. Modified Opposite-Spin-Scaled Double-Hybrid Functionals. arXiv.org, e-Print Archive, Physics 2024.