| The first HyDRA challenge for computational vibrational spectroscopy TL Fischer, M Bödecker, SM Schweer, J Dupont, V Lepère, ... Physical Chemistry Chemical Physics 25 (33), 22089-22102, 2023 | 7 | 2023 |
| Design and synthesis of piano-stool ruthenium (II) complexes and their studies on the inhibition of amyloid β (1–42) peptide aggregation S Singh, GR Navale, S Agrawal, HK Singh, L Singla, D Sarkar, M Sarma, ... International journal of biological macromolecules 239, 124197, 2023 | 4 | 2023 |
| Inhibition of amyloid β1–42 peptide aggregation by newly designed cyclometallated palladium complexes R Saini, GR Navale, S Singh, HK Singh, R Chauhan, S Agrawal, D Sarkar, ... International Journal of Biological Macromolecules 248, 125847, 2023 | 3 | 2023 |
| Perturbing π‐clouds with Substituents to Study the Effects on Reaction Dynamics of gauche‐1,3‐Butadiene to Bicyclobutane Electrocyclization P Kalita, B Medhi, HK Singh, HP Bhattacharyya, N Gupt, M Sarma ChemPhysChem 24 (3), e202200727, 2023 | 2 | 2023 |
| A computational insight on the noncovalent interactions of aminothiazole-based palladium (II) complexes with DNA as a potent anticancer agent HK Singh, RR Changmai, N Keot, HP Bhattacharyya, M Sarma Polyhedron 239, 116448, 2023 | 1 | 2023 |
| Torsional Rotation in Ditopic Receptor Host and its Complex Formation with Resorcinol Guest: A Computational Study HK Singh, M Sarma ChemPhysChem 24 (11), e202200928, 2023 | 1 | 2023 |
| Exploring π–π interactions and electron transport in complexes involving a hexacationic host and PAH guest: a promising avenue for molecular devices HK Singh, U Nath, N Keot, M Sarma Physical Chemistry Chemical Physics 25 (39), 26767-26778, 2023 | 1 | 2023 |
| Unveiling the Noncovalent Interaction of Thiazol‐2‐ylidene and Its Derivatives as N‐heterocyclic Carbene with Different Proton Donor Molecules N Keot, B Lama, HK Singh, HP Bhattacharyya, M Sarma ChemPhysChem 24 (23), e202300413, 2023 | | 2023 |
| Low energy electron interaction with citric acid: a local complex potential based time-dependent wavepacket study S Kumar, HK Singh, HP Bhattacharyya, M Sarma Journal of Chemical Sciences 135 (3), 88, 2023 | | 2023 |
