Debnath S - Search Results

1

Accurate Quantum Chemical Reaction Energies for Lithium-Mediated Electrolyte Decomposition and Evaluation of Density Functional Approximations.

Debnath S, Neufeld VA, Jacobson LD, Rudshteyn B, Weber JL, Berkelbach TC, Friesner RA. Debnath S, et al. J Phys Chem A. 2023 Nov 9;127(44):9178-9184. doi: 10.1021/acs.jpca.3c04369. Epub 2023 Oct 25. J Phys Chem A. 2023. PMID: 37878768 Free PMC article.

2

Eliminating Systematic Errors in DFT via Connectivity-Based Hierarchy: Accurate Bond Dissociation Energies of Biodiesel Methyl Esters.

Debnath S, Sengupta A, Raghavachari K. Debnath S, et al. J Phys Chem A. 2019 Apr 25;123(16):3543-3550. doi: 10.1021/acs.jpca.9b01478. Epub 2019 Apr 15. J Phys Chem A. 2019. PMID: 30986067

3

Investigating the Stacking Interactions Responsible for Driving 3D Self-Association of Tricarb Macrocycles.

Debnath S, Raghavachari K. Debnath S, et al. J Phys Chem A. 2023 Oct 5;127(39):8110-8116. doi: 10.1021/acs.jpca.3c04398. Epub 2023 Sep 22. J Phys Chem A. 2023. PMID: 37738520

4

Scalable Ab Initio Electronic Structure Methods with Near Chemical Accuracy for Main Group Chemistry.

Wei Y, Debnath S, Weber JL, Mahajan A, Reichman DR, Friesner RA. Wei Y, et al. Among authors: debnath s. J Phys Chem A. 2024 Jul 18;128(28):5796-5807. doi: 10.1021/acs.jpca.4c02853. Epub 2024 Jul 6. J Phys Chem A. 2024. PMID: 38970826

5

Solvent-Dependent Folding Behavior of a Helix-Forming Aryl-Triazole Foldamer.

Debnath S, Flood AH, Raghavachari K. Debnath S, et al. J Phys Chem B. 2024 Feb 22;128(7):1586-1594. doi: 10.1021/acs.jpcb.3c04907. Epub 2024 Feb 7. J Phys Chem B. 2024. PMID: 38324342

6

Fragment-Based Approaches for Supramolecular Interaction Energies: Applications to Foldamers and Their Complexes with Anions.

Debnath S, Sengupta A, Jose KVJ, Raghavachari K. Debnath S, et al. J Chem Theory Comput. 2018 Dec 11;14(12):6226-6239. doi: 10.1021/acs.jctc.8b00525. Epub 2018 Nov 28. J Chem Theory Comput. 2018. PMID: 30484639

7

Approaching Coupled Cluster Accuracy with Density Functional Theory Using the Generalized Connectivity-Based Hierarchy.

Raghavachari K, Maier S, Collins EM, Debnath S, Sengupta A. Raghavachari K, et al. Among authors: debnath s. J Chem Theory Comput. 2023 Jul 11;19(13):3763-3778. doi: 10.1021/acs.jctc.3c00301. Epub 2023 Jun 20. J Chem Theory Comput. 2023. PMID: 37338997 Review.

8

Revealing the Hidden Costs of Organization in Host-Guest Chemistry Using Chloride-Binding Foldamers and Their Solvent Dependence.

Parks FC, Sheetz EG, Stutsman SR, Lutolli A, Debnath S, Raghavachari K, Flood AH. Parks FC, et al. Among authors: debnath s. J Am Chem Soc. 2022 Jan 26;144(3):1274-1287. doi: 10.1021/jacs.1c10758. Epub 2022 Jan 11. J Am Chem Soc. 2022. PMID: 35015538

9

Allosteric Control of Photofoldamers for Selecting between Anion Regulation and Double-to-Single Helix Switching.

Parks FC, Liu Y, Debnath S, Stutsman SR, Raghavachari K, Flood AH. Parks FC, et al. Among authors: debnath s. J Am Chem Soc. 2018 Dec 19;140(50):17711-17723. doi: 10.1021/jacs.8b10538. Epub 2018 Dec 7. J Am Chem Soc. 2018. PMID: 30465607

10

Collagen as a bio-ink for 3D printing: a critical review.

Debnath S, Agrawal A, Jain N, Chatterjee K, Player DJ. Debnath S, et al. J Mater Chem B. 2025 Jan 8. doi: 10.1039/d4tb01060d. Online ahead of print. J Mater Chem B. 2025. PMID: 39775500 Review.

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