Google Scholar Profile

1. 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. (2025) (Accepted). Link


2. 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



3. 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



4. 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



5. 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



6. 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



7. 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



8. 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



9. 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



10. 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].



11. 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]


12. 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



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


14. 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



15. 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


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



17. 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



18. 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



19. 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


20. 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


21. 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



22. 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


23. 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]


24. 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]



25. 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



26. 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



27. 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]



28. 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]



29. 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


30. 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



31. 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



32. 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


33. 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



34. 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



35. 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



36. 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



37. 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


38. 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



39. 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



40. 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]



41. 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



42. 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


43. 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


44. 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



45. 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


46. 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


47. 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


48. 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]



49. 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



50. 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]


51. 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



52. 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


53. 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



54. 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


55. 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]



56. 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



57. 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


58. 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


59. 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



60. 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



61. 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



62. 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



63. 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



64. 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



65. 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]



66. 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



67. 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


68. 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


69. 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


70. 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


71. 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


72. 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


73. 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


74. 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


75. 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


76. 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


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


78. 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


79. 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


80. 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


81. 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


82. 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


83. 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


84. 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


85. 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


86. 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


87. 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


88. 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


89. 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


90. 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


91. 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


92. 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


93. 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


94. 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


95. 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]


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


97. 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


98. 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


99. 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


100. 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


101. 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


102. 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


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