| Accurate and cost-effective NMR chemical shift predictions for proteins using a molecules-in-molecules fragmentation-based method SK Chandy, B Thapa, K Raghavachari Physical Chemistry Chemical Physics 22 (47), 27781-27799, 2020 | 23 | 2020 |
| Accurate and Cost-Effective NMR Chemical Shift Predictions for Nucleic Acids Using a Molecules-in-Molecules Fragmentation-Based Method SK Chandy, K Raghavachari J. Chem. Theory Comput. 19 (2), 544–561, 2023 | 8 | 2023 |
| Proton-Coupled, Low-Energy Pathway for Electrocatalytic CO2 Reduction at Re(Diimine) Complexes with a Conjugated Pyrazinyl Moiety SK Chandy, SA Bowers, M Yin, L Liu, K Raghavachari, L Li Inorganic Chemistry 61 (44), 17505–17514, 2022 | 6 | 2022 |
| MIM-ML: A Novel Quantum Chemical Fragment-Based Random Forest Model for Accurate Prediction of NMR Chemical Shifts of nucleic acids SK Chandy, K Raghavachari J.Chem. Theory Comput., 2023 | 3 | 2023 |
| Selective Electrocatalyzed Reduction of CO2 to Formate by Mononuclear Mo (Diimine)(CO) 4 Complexes M Yin, SK Chandy, SA Bowers, K Raghavachari, L Li ChemCatChem, e202300523, 2023 | 3 | 2023 |
| Quantum Chemical Investigations of Complex Materials: Fragment-Based NMR Predictions of Biomolecular Systems and Mechanistic Studies on Transition Metal Catalysts for CO2 Reduction SK Chandy Indiana University, 2024 | | 2024 |
| Structure Dependence of CO2 Reduction Electrocatalyzed by Metal-Nanographene Complexes: A Computational Study SK Chandy, S Bowers, K Raghavachari, L Li J. Phys. Chem. A, 2023 | | 2023 |
| Hydrogen Bonded Complexes of Polycyclic Aromatic Hydrocarbons with Water: Matrix Isolation FTIR Spectroscopy and Computational Study SK Chandy IISER-M, 2017 | | 2017 |
Liang-shi LiDepartment of Chemistry, Indiana University, BloomingtonBestätigte E-Mail-Adresse bei indiana.edu
