| Allosteric control of photofoldamers for selecting between anion regulation and double-to-single helix switching FC Parks, Y Liu, S Debnath, SR Stutsman, K Raghavachari, AH Flood Journal of the American Chemical Society 140 (50), 17711-17723, 2018 | 99 | 2018 |
| Revealing the hidden costs of organization in host–guest chemistry using chloride-binding foldamers and their solvent dependence FC Parks, EG Sheetz, SR Stutsman, A Lutolli, S Debnath, K Raghavachari, ... Journal of the American Chemical Society 144 (3), 1274-1287, 2022 | 31 | 2022 |
| Host–Host Interactions Control Self‐assembly and Switching of Triple and Double Decker Stacks of Tricarbazole Macrocycles Co‐assembled with anti‐Electrostatic Bisulfate Dimers JR Dobscha, S Debnath, RE Fadler, EM Fatila, M Pink, K Raghavachari, ... Chemistry–A European Journal 24 (39), 9841-9852, 2018 | 25 | 2018 |
| Eliminating systematic errors in DFT via connectivity-based hierarchy: Accurate bond dissociation energies of biodiesel methyl esters S Debnath, A Sengupta, K Raghavachari The Journal of Physical Chemistry A 123 (16), 3543-3550, 2019 | 15 | 2019 |
| Fragment-based approaches for supramolecular interaction energies: Applications to foldamers and their complexes with anions S Debnath, A Sengupta, KVJ Jose, K Raghavachari Journal of Chemical Theory and Computation 14 (12), 6226-6239, 2018 | 13 | 2018 |
| Amphiphile self-assembly dynamics at the solution-solid interface reveal asymmetry in head/tail desorption HD Castillo, JM Espinosa-Duran, JR Dobscha, DC Ashley, S Debnath, ... Chemical Communications 54 (72), 10076-10079, 2018 | 11 | 2018 |
| Solution-mediated annealing pathways are critical for supramolecular ordering of complex macrocycles at surfaces HD Castillo, J Yang, S Debnath, JR Dobscha, CQ Trainor, RD Mortensen, ... The Journal of Physical Chemistry C 124 (12), 6689-6699, 2020 | 9 | 2020 |
| Understanding the origin of 2D self-assembly of tricarbazole macrocycles: An integrated quantum mechanical/molecular dynamics study S Debnath, J Yang, P Ortoleva, K Raghavachari The Journal of Physical Chemistry C 123 (28), 17616-17623, 2019 | 7 | 2019 |
| Accurate quantum chemical reaction energies for lithium-mediated electrolyte decomposition and evaluation of density functional approximations S Debnath, VA Neufeld, LD Jacobson, B Rudshteyn, JL Weber, ... The Journal of Physical Chemistry A 127 (44), 9178-9184, 2023 | 6 | 2023 |
| Approaching coupled cluster accuracy with density functional theory using the generalized connectivity-based hierarchy K Raghavachari, S Maier, EM Collins, S Debnath, A Sengupta Journal of Chemical Theory and Computation 19 (13), 3763-3778, 2023 | 4 | 2023 |
| Investigating the Stacking Interactions Responsible for Driving 3D Self-Association of Tricarb Macrocycles S Debnath, K Raghavachari The Journal of Physical Chemistry A 127 (39), 8110-8116, 2023 | 2 | 2023 |
| Scalable Ab Initio Electronic Structure Methods with Near Chemical Accuracy for Main Group Chemistry Y Wei, S Debnath, JL Weber, A Mahajan, DR Reichman, RA Friesner The Journal of Physical Chemistry A 128 (28), 5796-5807, 2024 | | 2024 |
| Solvent-Dependent Folding Behavior of a Helix-Forming Aryl-Triazole Foldamer S Debnath, AH Flood, K Raghavachari The Journal of Physical Chemistry B 128 (7), 1586-1594, 2024 | | 2024 |
| Applications of Novel and Efficient Computational Methods to Unravel Structure-Property Relationships in Complex Molecules S Debnath Indiana University, 2020 | | 2020 |
| Controlling chloride affinity swings of photofoldamers with arylazopyrazoles F Parks, S Stutsman, Y Liu, S Debnath, K VanDenburgh, X Gao, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Solving the density functional conundrum: Elimination of systematic errors to derive accurate energies for complex chemical reactions S Debnath, A Sengupta, B Thapa, K Raghavachari ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Role of alkyl chain length in maintaining the honeycomb structure of tricarbazolo triazolophane macrocycles on the graphite surface understood via atom-resolved molecular dynamics J Yang, H Castillo, S Debnath, J Dobscha, S Tait, K Raghavachari, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| Order/disorder phase boundary in supramolecular self-assembly of macrocycles at surfaces H Castillo, J Yang, S Debnath, J Dobscha, C Trainor, R Mortensen, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| Understanding cooperative interactions in the polymorphs of self-assembled macrocycles S Debnath, J Yang, H Castillo, J Dobscha, S Tait, A Flood, P Ortoleva, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| Molecular self-assembly at surfaces: Dynamics, interactions, and design H Castillo, JE Duran, S Kim, J Dobscha, S Debnath, R Mortensen, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
