Google Scholar Profile

1. S. Chakraborty, I. Das, R. Raavi, Navneet Singh, Sk M. Hossain, N. Roy, N. Kumar, S. Sensarma, P. K. R. Chowdhury, B. Das, Hemant K. Kashyap and A. Banerjee, Tuning Diluent-Solvent Interactions via Optimal Diluent Fluorination for Favorable Graphite Anode Interface, Adv. Funct. Mater., 36, e31770 (2026). Link



2. I. Das, Md. A. Faisal, A. Rana, S. Chakraborty, D. Pal, B. R. Bhagat, Navneet Singh, S. Sensarma, P. K. R. Chowdhury, B. Das, A. Bisai, Hemant K. Kashyap, J. E. Dick, A. Banerjee, A. Banerjee, Influence of Positional Isomerism in Weakly Solvating Ethers on Lithium Metal Deposition, Angewandte Chemie, 65, e22584 (2026). Link



3. Ayishwarya Dutta, Sumana Pyne, Rajib K. Mitra, and Hemant K. Kashyap, Insights into the Destabilizing Effect of Fluorinated Ethanol on Biomimetic Membranes, J. Phys. Chem. B, 130, 1598 (2026). Link



4. Navneet Singh and Hemant K. Kashyap, Impact of NaFTA Salt on Interfacial Ordering of Pyrr_1,3FTA Ionic Liquid Near Graphite Electrodes at Different Applied Potentials, Chem. Phys. Chem. 27, e202500517 (2026). Link [Invited for Special Collection: Modeling and Simulations of Electrolytes]



5. Navneet Singh and Hemant K. Kashyap, Dynamic Heterogeneity and Mechanism of Ionic Transport in NaTFSI-based WiSE and Superconcentrated NaTFSI-EmimTFSI Hybrid Aqueous Electrolytes, J. Chem. Phys. 163, 204506 (2025).Link [Special Collection: Chemical Physics of Ionic Transport in Solvents, Polymers, and Near Interfaces]



6. Navneet Singh and Hemant K. Kashyap, Nonmonotonic Ionic Transport and Its Correlation with Structural and Dynamic Heterogeneities in NaTFSI and NaFSI-Based Aqueous Electrolytes: Salt-in-Water versus Water-in-Salt, J. Phys. Chem. B, 129, 12200 (2025). Link



7. Navneet Singh and Hemant K. Kashyap, Liquid Structure of NaTFSI-EmimTFSI Hybrid Aqueous Electrolytes: Beyond the Solubility Limit of NaTFSI-based WiSE, J. Phys. Chem. B, 129, 6933 (2025). Link



8. Shobhna, Ayishwarya Dutta and Hemant K. Kashyap, Mechanistic Insight on Ethanol Driven Swelling and Disruption of Cholesterol Containing Biomimetic Vesicles from Coarse-grained Molecular Dynamics, J. Comput. Chem. 46, e70050 (2025). Link



9. Ayishwarya Dutta, Monika Kumari and Hemant K. Kashyap, Tracking Cholesterol Flip-Flop in Mammalian Plasma Membrane through Coarse-Grained Molecular Dynamics Simulations, Langmuir, 41, 1651 (2025). Link



10. Cini M Suresh, Mrityunjay K Jha, Navneet, Hemant K Kashyap*, and Pravin Popinand Ingole*, Modulating Molecular Interactions in Bulk and Electrochemical Interfaces of Deep Eutectic Solvent-Based Tailored Electrolytes for Facilitating Reactive CO₂ Capture, ACS Sustain. Chem. Eng. 12, 16819 (2024). Link



11. Navneet Singh and Hemant K. Kashyap, Are NaTFSI and NaFSI Salt-Based Water-in-Salt Electrolytes Structurally Similar or Different?, J. Phys. Chem. B, 128, 7615 (2024). Link



12. Shobhna, Ayishwarya Dutta, Pratibha Kumari and Hemant K. Kashyap, Stability of Cytoplasmic Membrane of Escherichia coli Bacteria in Aqueous and Ethanolic Environment, Langmuir, 40, 2893 (2024). Link



13. Harender S. Dhattarwal and Hemant K. Kashyap, Unveiling the Influence of Ionic Liquid on the Interfacial Structure and Capacitive Performance of Water-in-Salt Electrolytes at Graphite Electrodes, J. Phys. Chem. C, 128, 536 (2024). Link



14. Monika Kumari, Nadira Khatoon, Rachita Sharma, Sushanth Adusumilli, Anthony Auerbach*, Hemant K. Kashyap*, and Tapan Nayak*, Mechanism of Hydrophobic Gating in the Acetylcholine Receptor Channel Pore, J. Gen. Physiol. 156, e202213189 (2024). Link



15. Akshay Malik and Hemant K. Kashyap, Solvation Shell Anatomy of H₂S and CO Dissolved in Reline and Ethaline Deep Eutectic Solvents, J. Phys. Chem. B, 127, 10392 (2023). Link



16. Akshay Malik and Hemant K. Kashyap, Origin of Structural and Dynamic Heterogeneity in Thymol and Coumarin based Hydrophobic Deep Eutectic Solvents as Revealed by Molecular Dynamics, Phys. Chem. Chem. Phys. 25, 19693 (2023). Link



17. Mrityunjay K. Jha, Akshay Malik and Hemant K. Kashyap, How Hydrogen Bond Donor Acceptor Ratio and Water Content Impact Heterogeneity in Microstructure and Dynamics of N,N-diisooctylacetamide and Decanol based Hydrophobic Deep Eutectic Solvent, J. Mol. Liq., 385, 122127 (2023). Link [Invited for Special Issue of Deep eutectic solvents as sustainable solvents for chemical, biophysical and material studies].



18. Harender S. Dhattarwal and Hemant K. Kashyap, Structure and Stability of Modern Electrolytes in Nanoscale Confinements from Molecular Dynamics Perspective, Synthesis and Applications of Nanomaterials and Nanocomposites (Elsevier), (2023). Link [Invited Book Chapter]


19. Monika Kumari and Hemant K. Kashyap, Wrapping-trapping versus Extraction Mechanism of Bactericidal Activity of MoS₂ Nanosheets against Staphylococcus aureus Bacterial Membrane, Langmuir, 39, 5440 (2023). Link



20. Harender S. Dhattarwal and Hemant K. Kashyap, Microstructures of Choline Amino Acid based Biocompatible Ionic Liquids, The Chem. Record, e202200295 (2023) (Invited). Link


21. Akshay Malik and Hemant K. Kashyap, Solvation Shell Structures of Ammonia in Reline and Ethaline Deep Eutectic Solvents, J. Phys. Chem. B, 127, 2499 (2023). Link



22. Navneet Singh, Mrityunjay K. Jha, Harender S. Dhattarwal and Hemant K. Kashyap, How NaFTA Salt Affects the Structural Landscape and Transport Properties of Pyrr_1,3FTA Ionic Liquid, J. Chem. Phys., 158, 104502 (2023). Link


23. Monika Kumari and Hemant K. Kashyap, MoS₂ Nanosheets Induced Destructive Alterations in Escherichia coli Bacterial Membrane Soft Matter, 18, 7159 (2022). Link



24. Akshay Malik and Hemant K. Kashyap, Solvent Organization Around Methane Dissolved in Archetypal Reline and Ethaline Deep Eutectic Solvents as Revealed by AIMD Investigation, J. Phys. Chem. B, 126, 6472 (2022). Link



25. Harender S. Dhattarwal and Hemant K. Kashyap, Heterogeneity and Nanostructure of Superconcentrated LiTFSI-EmimTFSI Hybrid Aqueous Electrolytes: Beyond the 21 m Limit of WiSE, J. Phys. Chem. B, 126, 5291 (2022). Link



26. Monika Kumari, Shounak Roy, Amit Jaiswal, and Hemant K. Kashyap, Anionic Lipid Clustering Mediated Bactericidal Activity and Selective Toxicity of Quaternary Ammonium Substituted Polycationic Pullulan Against Staphylococcus Aureus Bacterial Membrane, Langmuir, 38, 8065 (2022). Link


27. Akshay Malik, Harender S. Dhattarwal, and Hemant K. Kashyap, An Overview of Structure and Dynamics Associated with Hydrophobic Deep Eutectic Solvents and Their Applications in Extraction Processes, Chem. Phys. Chem. 23, e202200239 (2022). Link


28. Harender S. Dhattarwal, Jer-Lai Kuo and Hemant K. Kashyap, Mechanistic Insight on the Stability of Ether and Fluorinated Ether Solvent-based Lithium Bis(fluoromethanesulfonyl) Electrolytes near Li Metal Surface, J. Phys. Chem. C, 126, 8953 (2022). Link



29. Andrea Le Donne, Antonio Tinti, Eder Amayuelas, Hemant K. Kashyap, Gaia Camisasca, Richard C. Remsing, Roland Roth, Yaroslav Grosu, and Simone Meloni, Intrusion and Extrusion of Liquids in Highly Confining Media: Bridging Fundamental Research to Applications, Advances in Physics: X, 7, 2052353 (2022). Link


30. Akshay Malik, Harender S. Dhattarwal, and Hemant K. Kashyap, Applications of Deep Eutectic Solvents in Gas Capture, Current Developments in Biotechnology and Bioengineering; Deep Eutectic Solvents: Fundamentals and Emerging Applications (Elsevier), Chapter 3 (2022). Link [Invited Book Chapter]


31. Shobhna and Hemant K. Kashyap, Deciphering Ethanol-Driven Swelling, Rupturing, Aggregation, and Fusion of Lipid Vesicles Using Coarse-Grained Molecular Dynamics Simulations, Langmuir, 38, 2445 (2022). Link [Cover Page Illustration] [Highlighted in Science Reporter Magazine]



32. Monika Kumari, Pratibha Kumari, and Hemant K. Kashyap, Structural adaptations in the bovine serum albumin protein in archetypal deep eutectic solvent reline and its aqueous mixtures, Phys. Chem. Chem. Phys., 24, 5627 (2022). Link



33. Shounak Roy, Monika Kumari, Prakash Haloi, Saurabh Chawla, V. Badireenath Konkimalla, Ajith Kumar, Hemant K. Kashyap*, and Amit Jaiswal*, Quaternary Ammonium Substituted Pullulan Accelerates Wound Healing and Disinfects Staphylococcus aureus Infected Wounds in Mouse Through an Atypical 'Non-Pore Forming' Pathway of Bacterial Membrane Disruption, Biomaterials Science, 10, 581 (2022). Link



34. Shobhna, Monika Kumari, and Hemant K. Kashyap, Mechanistic Insight on BioIL-Induced Structural Alterations in DMPC Lipid Bilayer, J. Phys. Chem. B, 125, 11955 (2021). Link [Invited Article in the virtual Special Issue of Prof. Kankan Bhattacharyya Festschrift]



35. Akshay Malik and Hemant K. Kashyap, Multiple Evidences of Dynamic Heterogeneity in Hydrophobic Deep Eutectic Solvents, J. Chem. Phys., 155, 044502 (2021). Link [Invited Article in the Special Issue on Chemical Physics of Deep Eutectic Solvents]



36. Vikas Khatri, Harender S. Dhattarwal, Hemant K. Kashyap* and Gurmeet Singh*, First-principles based Theoretical Investigation of Impact of Polyolefin Structure on Photo-oxidation Behaviour, J. Comput. Chem., 42, 1710 (2021). Link


37. Aditya Gupta, Harender S. Dhattarwal, and Hemant K. Kashyap, Structure of Cholinium Glycinate Biocompatible Ionic Liquid at Graphite Electrode Interface, J. Chem. Phys., 54, 184702 (2021). Link



38. Harender S. Dhattarwal, and Hemant K. Kashyap, Unique and Generic Structural Features of Cholinium Amino Acid Biocompatible Ionic Liquids, Phys. Chem. Chem. Phys., 23, 10662 (2021). Link



39. Sunil Kumar, Yi-Hsuan Wang, Po-Jen Chen, Yu-Chia Chang, Hemant K. Kashyap, Ya-Ching Shen, Huang-Ping Yu and Tsong-Long Hwang Design and Synthesis of β-Carboline and Combretastatin Derivatives as Anti-neutrophilic Inflammatory Agents, Bioorganic Chemistry, 111, 104846 (2021). Link


40. Akshay Malik, Harender S. Dhattarwal and Hemant K. Kashyap, Distinct Solvation Structures of CO₂ and SO₂ in Reline and Ethaline Deep Eutectic Solvents Revealed by AIMD Simulations, J. Phys. Chem. B, 125, 1852 (2021). Link



41. Harender S. Dhattarwal, Richard C. Remsing and Hemant K. Kashyap, Intercalation-Deintercalation of Water-in-salt Electrolyte in Nanoscale Hydrophobic Confinement, Nanoscale, 13, 4195 (2021). Link



42. Akshay Malik and Hemant K. Kashyap, Heterogeneity in Hydrophobic Deep Eutectic Solvents: SAXS Prepeak and Local Environments, Phys. Chem. Chem. Phys., 23, 3915 (2021). Link



43. Aditya Gupta and Hemant K. Kashyap, Nanoscale Heterogeneity, Hydrogen Bonding and Their Temperature Dependence in Cholinium Phenylalaninate Bio-ionic Liquid, J. Mol. Liq. 326, 115329 (2021). Link



44. Komal Kumar, V. Khatri, Sreedevi Upadhyayula and Hemant K. Kashyap, Cellulose Conversion to Biofuel Precursors using Conjugated Ionic Liquid Catalyst: An Experimental and DFT Study, Applied Catalysis A: General, 610, 117951 (2021). Link


45. Pratibha Kumari, Monika Kumari, and Hemant K. Kashyap, How Pure and Hydrated Reline DES Affect the Conformation and Stability of Lysozyme: Insights from Atomistic Molecular Dynamics Simulations, J. Phys. Chem. B, 124, 11919 (2020). Link



46. Harender S. Dhattarwal, Yun-Wen Chen, Jer-Lai Kuo and Hemant K. Kashyap, Mechanistic Insight on the Formation of Solid Electrolyte Interphase (SEI) by Acetonitrile-Based Superconcentrated [Li][TFSI] Electrolyte Near Li Metal, J. Phys. Chem. C, 124, 27495 (2020).Link



47. Supreet Kaur, Monika Kumari and Hemant K. Kashyap, Microstructure of Deep Eutectic Solvents: Current Understanding and Challenges, J. Phys. Chem. B, 124, 10601 (2020). Link [Review Article]



48. Akshay Malik, Harender S. Dhattarwal and Hemant K. Kashyap, Molecular Dynamics Investigation of Wetting-Dewetting Behavior of Reline DES Nanodroplet at Model Carbon Material, J. Chem. Phys., 153, 164704 (2020).Link



49. Kharu Nisa, Vikas Khatri, S. Kumar, S. Arora, S. Ahmad, A. Dandia, M. Thirumal, Hemant K. Kashyap* and S. M. S. Chauhan*, Synthesis and Redox Properties of Superbenzene Porphyrin Conjugates, Inorg. Chem., 59, 16168 (2020). Link


50. Sumbul Hafeez, Vikas Khatri, Hemant K. Kashyap* and Leena Nebhani*, Computational and Experimental Approach to Evaluate the Effect of Initiator Concentration, Solvents, and Enes on TEMPO Driven Thiol-ene Reaction, New J. Chem., 44, 18625 (2020). Link


51. Monika Kumari, Aditya Gupta, Shobhna and Hemant K. Kashyap, Molecular Dynamics Evaluation of Effect of Cholinium Phenylalaninate Biocompatible Ionic Liquid on Biomimetic Membranes, J. Phys. Chem. B, 124, 6748 (2020). Link



52. Shobhna, Monika Kumari and Hemant K. Kashyap, A Coarse-Grained Model of Dimethyl Sulfoxide for Molecular Dynamics Simulations with Lipid Membranes, J. Chem. Phys., 153, 035104 (2020). Link


53. Vikas Khatri, U. Sahoo, S. Kaur, R. Rani, G. Singh, Gurpreet S. Kapur and Hemant K. Kashyap, Control of Ziegler-Natta Catalyst Activity by Structural Design of Alkoxysilane-based External Donors, New J. Chem., 44, 6845 (2020). Link


54. Komal Kumar, V. Khatri, F. Parveen, Hemant K. Kashyap* and Sreedevi Upadhyayula*, Synthesis of Oxygenated Fuel Additive from Waste Biomass Derived Aldehyde using Green Catalyst: An Experimental and DFT Study, Sustainable Energy & Fuels, 4, 2924 (2020). Link


55. Supreet Kaur, Aditya Gupta and Hemant K. Kashyap, How Hydration Affects the Microscopic Structural Morphology in a Deep Eutectic Solvent, J. Phys. Chem. B, 124, 2230 (2020). Link [Invited Article in the Special Issue on Deep Eutectic Solvents] [Appeared in the list of most popular articles]



56. Harender S. Dhattarwal, Richard C. Remsing and Hemant K. Kashyap, How Flexibility of Nanoscale Solvophobic Confining Material Promotes Capillary Evaporation of Ionic Liquids, J. Phys. Chem. C, 124, 4899 (2020). Link



57. Shobhna, Monika Kumari and Hemant K. Kashyap, Susceptibility of Biomembrane Structure Towards Amphiphiles, Ionic Liquids, and Deep Eutectic Solvents, Advances in Biomembranes and Lipid Self-Assembly, Vol 31, Chapter 4 (2020). Link [Invited Book Chapter]


58. Harender S. Dhattarwal and Hemant K. Kashyap, Molecular Dynamics Investigation of Wetting-Dewetting Behavior of Model Carbon Material by 1-Butyl-3-methylimidazolium Acetate Ionic Liquid Nanodroplet, J. Chem. Phys., 151, 244705 (2019). Link



59. Pratibha Kumari and Hemant K. Kashyap, DMSO Induced Dehydration of Heterogeneous Lipid Bilayers and Its Impact on their Structures, J. Chem. Phys., 151, 215103 (2019). Link


60. Pratibha Kumari, Monika Kumari and Hemant K. Kashyap, Counter-effects of Ethanol and Cholesterol on Heterogeneous PSM-POPC Lipid Membrane: A Molecular Dynamics Simulation Study, J. Phys. Chem. B, 123, 9616 (2019). Link



61. Soumen Sinhababu, Mahendra Kumar Sharma, Pritam Mahawar, Supreet Kaur, Vivek Kumar Singh, Akhil Paliwal, Dhirendra Yadav, Hemant K. Kashyap and Selvarajan Nagendran, Germylene Stabilized Group 12 Metal Complexes and their Reactivity with Chalcogens, Dalton Trans., 48, 16366 (2019). Link


62. Supreet Kaur, Akshay Malik and Hemant K. Kashyap, Anatomy of Microscopic Structure of Ethaline Deep Eutectic Solvent Decoded through Molecular Dynamics Simulations, J. Phys. Chem. B, 123, 8291 (2019). Link [Cover Page Illustration] [Appeared in the list of most popular articles]



63. Supreet Kaur, Shobhna and Hemant K. Kashyap, Insights Gained from Refined Force-Field for Pure and Aqueous Ethylene Glycol through Molecular Dynamics Simulations, J. Phys. Chem. B, 123, 6543 (2019). Link



64. Shobha Sharma, Harender S. Dhattarwal and Hemant K. Kashyap, Molecular Dynamics Investigation of Electrostatic Properties of Pyrrolidinium Cation Based Ionic Liquids Near Electrified Carbon Electrodes, J. Mol. Liq., 291, 111269 (2019). Link


65. Pratibha Kumari and Hemant K. Kashyap, Sensitivity and Resilience of Phosphatidylcholine and Phosphatidylethanolamine Lipid Membranes Against Cholinium Glycinate Bio-Compatible Ionic Liquid, J. Phys. Chem. B, 123, 4550 (2019). Link


66. Aditya Gupta, Supreet Kaur and Hemant K. Kashyap, How Water Permutes the Structural Organization and Microscopic Dynamics of Cholinium Glycinate Bio-Compatible Ionic Liquid, J. Phys. Chem. B, 123, 2057 (2019). Link



67. Pratibha Kumari, Shobhna, Supreet Kaur and Hemant K. Kashyap, Influence of Hydration on the Structure of Reline Deep Eutectic Solvent: A Molecular Dynamics Study, ACS Omega, 3, 15246, (2018). Link



68. Pramod Jagtap, Rituraj Mishra, S. Khanna, Bhanu Mittal, Pratibha Kumari, Hemant K. Kashyap*, and Shalini Gupta*, Mechanistic Evaluation of Lipopolysaccharide-alexidine Interaction Using Spectroscopic and in Silico Approaches, ACS Infectious Diseases, 4, 1546 (2018). Link



69. Supreet Kaur and Hemant K. Kashyap, Unusual Temperature Dependence of Nanoscale Structural Organization in Deep Eutectic Solvents, J. Phys. Chem. B, 122, 5242 (2018). Link



70. Pratibha Kumari, Supreet Kaur, Shobha Sharma and Hemant K. Kashyap, Impact of Amphiphilic Molecules on the Structure and Stability of Homogeneous Sphingomyelin Bilayer: Insights from Atomistic Simulations, J. Chem. Phys. 148, 165102 (2018). Link



71. Sraddha Agrawal and Hemant K. Kashyap, Structures of Binary Mixtures of Ionic Liquid 1-Butyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide with Primary Alcohols: The Role of Hydrogen-Bonding, J. Mol. Liq. 261, 337 (2018). Link



72. Gourav Shrivastav, Richard C. Remsing and Hemant K. Kashyap, Capillary Evaporation of the Ionic Liquid [EMIM][BF₄] in Nanoscale Solvophobic Confinement, J. Chem. Phys. 148, 193810 (2018). Link [Invited Article in the Special Issue on Ionic Liquids]



73. Supreet Kaur, Shobha Sharma and Hemant K. Kashyap, Bulk and Interfacial Structures of Reline Deep Eutectic Solvent: A Molecular Dynamics Study, J. Chem. Phys. 147, 194507 (2017). Link



74. Shobha Sharma and Hemant K. Kashyap, Interfacial Structure of Pyrrolidinium Cation Based Ionic Liquids at Charged Carbon Electrodes: The Role of Linear and Nonlinear Alkyl Tails, J. Phys. Chem. C 121, 13202 (2017). Link


75. Debdas Dhabal, Aditya Gupta and Hemant K. Kashyap, Structural Investigation of Room-temperature Ionic Liquids and High-temperature Ionic Melts using Triplet Correlation Functions, J. Chem. Phys. 146, 094503 (2017). Link


76. Gourav Shrivastav, Aditya Gupta, Aman Rastogi, Debdas Dhabal, and Hemant K. Kashyap, Molecular Dynamics Study of Nanoscale Organization and Hydrogen Bonding in Binary Mixtures of Butylammonium Nitrate Ionic Liquid and Primary Alcohols, J. Chem. Phys. 146, 064503 (2017). Link


77. Gourav Shrivastav, Manish Agarwal, Charusita Chakravarty, and Hemant K. Kashyap, Thermodynamic Regimes Over Which Homologous Alkane Fluids Can be Treated As Simple Liquids, J. Mol. Liq. 231, 106 (2017). Link


78. Achintya Jana, Sourav Bhowmick, Supreet Kaur, Hemant K. Kashyap and Neeladri Das, Design of a Flexible Organometallic Tecton: Host−Guest Chemistry with Picric Acid and Self-assembly of Platina Macrocycles, Dalton Transactions 46, 1986 (2017). Link


79. Debdas Dhabal, Kjartan Wikfeldt, Lawrie Skinner, Charusita Chakravarty and Hemant K. Kashyap, Probing the Triplet Correlation Function in Liquid Water by Experiments and Molecular Simulations, Phys. Chem. Chem. Phys. 19, 3265 (2017). Link


80. Supreet Kaur and Hemant K. Kashyap, Three-dimensional Morphology and X-ray Scattering Structure of Aqueous tert-Butanol Mixtures: A Molecular Dynamics Study, J. Chem. Sci. 129, 103 (2017). Link


81. Saurav Prasad, Charusita Chakravarty and Hemant K. Kashyap, Concentration-dependent Structure and Dynamics of Aqueous LiCl Solutions: A Molecular Dynamics Study, J. Mol. Liq. 225, 240 (2017). Link


82. Debdas Dhabal, Charusita Chakravarty, Valeria Molinero and Hemant K. Kashyap, Comparison of Liquid-state Anomalies in Stillinger-Weber Models of Water, Silicon and Germanium, J. Chem. Phys. 145, 214502, (2016). Link


83. Shobha Sharma, Aditya Gupta, Debdas Dhabal and Hemant K. Kashyap, Pressure-dependent Morphology of Trihexyl(tetradecyl)phosphonium Ionic Liquids: A Molecular Dynamics Study, J. Chem. Phys. 145, 134506 (2016). Link


84. Supreet Kaur, Aditya Gupta and Hemant K. Kashyap, Nanoscale Spatial Heterogeneity in Deep Eutectic Solvents, J. Phys. Chem. B 120, 6712 (2016). Link


85. Jeevapani J. Hettige, Juan C. Araque, Hemant K. Kashyap and Claudio J. Margulis, Nanoscale Structure of Tetradecyltrihexylphosphonium Based Ionic Liquids, J. Chem. Phys.(Communication) 144, 121102 (2016). Link


86. Shobha Sharma, Aditya Gupta and Hemant K. Kashyap, How Structure of Pyrrolidinium Ionic Liquids is Susceptible to High Pressure, J. Phys. Chem. B 120, 3206 (2016). Link


87. Christopher MacDermaid, Hemant K. Kashyap, Russell DeVane, Wataru Shinoda, Jeffery Klauda, Michael L. Klein, and Giacomo Fiorin, Molecular Dynamics Simulations of Cholesterol-rich Membrane Using a Coarse-grained Force Field for Cyclic Alkanes, J. Chem. Phys. 143, 243144 (2015). Link


88. Shobha Sharma and Hemant K. Kashyap, Structure of Quaternary Ammonium Ionic Liquids at Interfaces: Effects of Cation Tail Modification with Isoelectronic Groups, J. Phys. Chem. C 119, 23955 (2015). Link


89. Aditya Gupta, Shobha Sharma and Hemant K. Kashyap, Composition Dependent Structural Organization in Trihexyl(tetradecyl)phosphonium Chloride Ionic Liquid - Methanol Mixtures, J. Chem. Phys. 142, 134503 (2015). Link


90. Harun Al Rasid Gazi, Hemant K. Kashyap and Ranjit Biswas, Solvent Sorting in (Mixed Solvent + Electrolyte) Systems: Time-Resolved Fluorescence Measurements and Theory, J. Chem. Sci. 127, 61 (2015). Link


91. Jeevapani J. Hettige, Hemant K. Kashyap and Claudio J. Margulis, What Accounts for the Anomalous Increase in Prepeak Intensity at Higher Temperatures in Phosphonium ILs with Long Alkyl Tails? J. Chem. Phys.(Communication) 140, 111102 (2014). Link


92. Sai Kumar Ramadugu, Zhen Li, Hemant K. Kashyap and Claudio J. Margulis, The Role of Glu41 in the Binding of Dimannose to P51G-m4-CVN, Biochemistry 53, 1477 (2014). Link


93. Changhui Hu, Aleksander Durumeric, Hemant K. Kashyap, Jorge Kohanoff and Claudio J. Margulis, Dynamics of Excess Electronic Charge in Aliphatic Ionic Liquids Containing Bis(trifluoromethylsulfonyl)amide Anion, J. Am. Chem. Soc. 135, 17528 (2013). Link


94. Hemant K. Kashyap, Cherry S. Santos, N. Sanjeeva Murthy, Jeevapani J. Hettige, Sharon Ramati, Kijana Kerr, JinHee Gwon, Masao Gohdo, Sharon Lall-Ramnarine, James F. Wishart, Claudio J. Margulis and Edward W. Castner, Jr., Structure of 1-Alkyl-1-methylpyrrolidinium Bis(trifluoromethylsulfonyl)amide Ionic Liquids with Linear, Branched and Cyclic Alkyl Groups, J. Phys. Chem. B 117, 15328 (2013). Link


95. Hemant K. Kashyap, Cherry S. Santos, Ryan P. Daly, Jeevapani J. Hettige, N. Sanjeeva Murthy, Hideaki Shirota, Edward W. Castner, Jr. and Claudio J. Margulis, How Does the Ionic Liquid Organizational Landscape Change When Nonpolar Cationic Alkyl Groups Are Replaced by Polar Isoelectronic Diethers? J. Phys. Chem. B 117, 1130 (2013). Link


96. Jeevapani J. Hettige, Hemant K. Kashyap, Harsha V. R. Annapureddy and Claudio J. Margulis, Anion, the Reporters of Structure in Ionic Liquids, J. Phys. Chem. Lett. 4, 105 (2013). Link


97. Hemant K. Kashyap and Claudio J. Margulis, Theoretical Deconstruction of the X-ray Structure Function Exposes Polarity Alternations in Room Temperature Ionic Liquids, ECS-Transactions, 50, 301 (2013). Link


98. Hemant K. Kashyap, Jeevapani J. Hettige, Harsha V. R. Annapureddy and Claudio J. Margulis, SAXS Anti-Peaks Reveal the Length-Scales of Dual Positive-Negative and Polar-Apolar Ordering in Room-Temperature Ionic Liquids, ChemComm 48, 5103 (2012). Link


99. Hemant K. Kashyap, Cherry S. Santos, Harsha V. R. Annapureddy, N. Sanjeeva Murthy, Claudio J. Margulis and Edward W. Castner, Jr., Temperature-Dependent Structure of Ionic Liquids : X-ray Scattering and Simulations, Faraday Discuss. 154, 133 (2012). Link


100. Hemant K. Kashyap, Harsha V. R. Annapureddy, Fernando O. Raineri and Claudio J. Margulis, How is Charge Transport Different in Ionic Liquids and Electrolyte Solutions? J. Phys. Chem. B 115, 13212 (2011). Link


101. Cherry S. Santos, Harsha V. R. Annapureddy, N. Sanjeeva Murthy, Hemant K. Kashyap, Edward W. Castner, Jr., and Claudio J. Margulis, Temperature-Dependent Structure of Methyltributylammonium Bis(trifluoromethylsulfonyl)amide: X ray Scattering and Simulations, J. Chem. Phys. 134, 064501 (2011). Link


102. Harsha V. R. Annapureddy, Hemant K. Kashyap, Pablo M. De Biase, and Claudio J. Margulis, What is the Origin of the Prepeak in the X-ray Scattering of Imidazolium-Based Room-Temperature Ionic Liquids? J. Phys. Chem. B 114, 16838 (2010). Link [Cover Page Illustration]


103. Hemant K. Kashyap and Ranjit Biswas, Stokes’ Shift Dynamics in Imidazolium Ionic Liquids: Temperature Dependence, J. Phys. Chem. B 114, 16811 (2010). Link


104. Biswajit Guchhait, Harun Al Rasid Gazi, Hemant K. Kashyap and Ranjit Biswas, Fluorescence Spectroscopic Studies of (Acetamide + Sodium/ Potassium Thiocyantes) Molten Mixtures: Composition and Temperature Dependence, J. Phys. Chem. B 114, 5066 (2010). Link


105. Hemant K. Kashyap and Ranjit Biswas, Solvation Dynamics in Imidazolium and Phosphonium Ionic Liquids: Effects of Solute Motion, Ind. J. Chem. 49A, 685 (2010). Link


106. Hemant K. Kashyap and Ranjit Biswas, Solvation Dynamics of Dipolar Solute in Room Temperature Ionic Liquids: Separation of Ion-Dipole and Dipole-Dipole Interaction contributions, J. Phys. Chem. B 114, 254 (2010). Link


107. Hemant K. Kashyap and Ranjit Biswas, Dipolar Solvation Dynamics in Room Temperature Ionic Liquids: An Effective Medium Calculation Using Dielectric Relaxation Data, J. Phys. Chem. B 112, 12431 (2008). Link


108. Hemant K. Kashyap and Ranjit Biswas, Non-ideality in Born Free Energy of Solvation in Alcohol-Water and Dimethylsulfoxide-Acetonitrile Mixtures: Solvent Size Ratio and Ion Size Dependence, J. Chem. Sci. 119, 391 (2007). Link


109. Hemant K. Kashyap and Ranjit Biswas, Ions in a Binary Asymmetric Dipolar Mixture: Mole Fraction Dependent Born Energy of Solvation and Partial Solvent Polarization Structure, J. Chem. Phys. 127, 184502 (2007). Link


110. Hemant K. Kashyap, Tuhin Pradhan and Ranjit Biswas, Limiting Ionic Conductivity and Solvation Dynamics in Formamide, J. Chem. Phys. 125, 174506 (2006). Link