15. Prabhat Prakash, Birane Fall, Jordan Aguirre, Laura A. Sonnenberg, Parameswara Rao Chinnam, Sumanth Chereddy, Dmitriy A. Dikin, Arun Venkatnathan, Stephanie L. Wunder, Michael J. Zdilla, A soft co-crystalline solid electrolyte for lithium-ion batteries, Nature Materials 2023, 22, 627-635.

14. Prateek Goyal, Dhruv Menon, Pahuni Jain, Prabhat Prakash, Superb K. Misra, Linker mediated enhancement in reusability and regulation of Pb(II) removal mechanism of Cu-centered MOFs, Separation and Purification Technology, 2023, 318,123941. 

13. Uttama Mukherjee, Prabhat Prakash,* Arun Venkatnathan, Theoretical Assessment of Carbon Dioxide Reactivity in Methylpiperidines – A Conformational Investigation, The Journal of Physical Chemistry A 2023, 127, (14), 3123–3132. 

12. Shylendran Ardhra, Prabhat Prakash, Arun Venkatnathan, Effect of concentration and temperature on the structure and ion-transport in diglyme based sodium ion electrolyte, The Journal of Physical Chemistry B 2022, 126 (10), 2119–2129. 

11. Prabhat Prakash, Ardhra Shylendran, Birane Fall, Michael J. Zdilla, Stephanie L. Wunder, Arun Venkatnathan, The mechanism of ion conduction and dynamics in tris(N,N-dimethylformamide) perchloratosodium solid electrolytes, The Journal of Physical Chemistry C 2022, 126 (10), 4744–4750.

10. Swaroop Chakraborty, Prabhat Prakash, Juhi Shah, Chaithra Mayya, Sanjay Singh, Raghavan Ranganathan,Virupakshi Soppina, Eugenia Valsami Jones, Superb K. Misra, CuO Nanoparticles as Copper Ion Reservoirs for Elesclomol-Mediated Intracellular Oxidative Stress: Implications for Anticancer Therapies, ACS Applied Nano Materials, 2022, 5 (1), 1607–1620. 

9. Sergey Zybin, Sergey Morozov, Prabhat Prakash, Michael J. Zdilla, William A Goddard III, Reaction mechanism and energetics of decomposition of tetrakis(1,3-dimethyltetrazol-5-imidoperchloratomanganese(II)) from quantum-mechanics-based reactive dynamics, Journal of the American Chemical Society, 2021,143 (41), 16960–16975.

8. Rashmi Singh, Harshita Bhatia, Prabhat Prakash, Elke Debroye, Swapan Dey, Tandem Nenitzescu reaction/nucleophilic aromatic substitution to form novel pyrido fused indole frameworks, European Journal of Organic Chemistry, 2021, 2021 (34), 4865-4875.

7. Prabhat Prakash, Ardhra Shylendran, Birane Fall, Michael J. Zdilla, Stephanie L. Wunder, Arun Venkatnathan, Solvate Sponge Crystals of (DMF)3NaClO4: Reversible, Pressure/Temperature Controlled Juicing in a Melt/Press Castable Sodium-Ion Conductor, Chemical Science, 2021, 12, 5574-5581.

6. Birane Fall†, Prabhat Prakash†, Michael R. Gau, Stephanie L. Wunder, Arun Venkatnathan, Michael J. Zdilla, Experimental and Theoretical Investigation of the Ion Conduction Mechanism of Tris(adiponitrile)-perchloratosodium, a Self-Binding, Melt-Castable Crystalline Sodium Electrolyte, Chemistry of Materials 2019, 31, 8850–8863.

5. Prabhat Prakash, and Arun Venkatnathan, Site-Specific Interactions in CO2 Capture by Lysinate Anion and Role of Water Using Density Functional Theory, The Journal of Physical Chemistry C 2018, 122, 12647–12656.

4. Praveen Kumar†, Prabhat Prakash†, K. R. Ramya and Arun Venkatnathan, Probing translational and rotational dynamics in hydrophilic/hydrophobic anion based imidazolium ionic liquid–water mixtures, Soft Matter 2018, 14, 6109–6118.

3. Prabhat Prakash, Jordan Aguirre, Megan. M. Van Vliet, Parameswara Rao Chinnam, Dmitriy A. Dikin, Michael J. Zdilla, Stephanie L. Wunder and Arun Venkatnathan, Unravelling the structural and dynamical complexity of the equilibrium liquid grainbinding layer in highly conductive organic crystalline electrolytes, Journal of Materials Chemistry A 2018, 6, 4394–4404.

2. Arvind K. Gupta, Shada Arun Dixith Reddy, Prabhakaran Rajasekar, Prabhat Prakash and Ramamoorthy Boomishankar, Chloro-Bridged Hexanuclear Pd(II) Clusters Supported by cis-Blocking Tris(imido)phosphate Trianions, ChemistrySelect 2017, 2, 10636–10641. 

1. Prabhat Prakash and Arun Venkatnathan, Molecular mechanism of CO2 absorption in phosphonium amino acid ionic liquid, RSC Advances, 2016, 6, 55438–55443.

†Equal contribution *Corresponding Author

Conference Abstracts:

5. Prabhat Prakash, Birane Fall, Jordan Aguirre, Sumanth Chereddy, Parameswara Chinnam, Dmitriy Dikin , Stephanie L. Wunder, Arun Venkatnathan, Michael J. Zdilla, "Soft-solid electrolytes for lithium batteries: Simulating structural and dynamical complexities" in ACS National Meeting Spring 2021 on April 07. 

4. Taylor Keller, Prabhat Prakash, Alex Byrne, Michael Zdilla, "Using crystallographic refinement methods to calculate partial atomic charges of small molecules" in ACS National Meeting Spring 2021 on April 07.

3. Prabhat Prakash, Alex Byrne, Taylor Keller, Michael Zdilla, Direct and simple experimental crystallographic method to calculate partial charges with atomistic correspondence to ab initio methods, Acta Crystallogr. Sect. A Found. Adv. 2020, 76 (a1), a194.

2. Michael Zdilla, Taylor Keller, Prabhat Prakash, Alex Byrne, Measurement of partial atomic charges by least-squares refinement of variable electron density crystallographic models, Acta Crystallogr. Sect. A Found. Adv. 2020, 76 (a1), a152.

1. Taylor Keller, Michael Zdilla, Prabhat Prakash, Alex Byrne, Using crystallographic models to experimentally measure partial atomic charges with comparison to quantum calculations, Acta Crystallogr. Sect. A Found. Adv. 2020, 76 (a1), a193.