Hemant K. Kashyap

发表

Molecular dynamics study of nanoscale organization and hydrogen bonding in binary mixtures of butylammonium nitrate ionic liquid and primary alcohols.

G. Shrivastav, Aditya Gupta, Aman Rastogi, 2017, The Journal of chemical physics.

Influence of Hydration on the Structure of Reline Deep Eutectic Solvent: A Molecular Dynamics Study

Supreet Kaur, Pratibha Kumari, P. Kumari, 2018, ACS omega.

The role of Glu41 in the binding of dimannose to P51G-m4-CVN.

Sai Kumar Ramadugu, C. Margulis, Zhen Li, 2014, Biochemistry.

Impact of amphiphilic molecules on the structure and stability of homogeneous sphingomyelin bilayer: Insights from atomistic simulations.

Shobha Sharma, P. Kumari, Supreet Kaur, 2018, The Journal of chemical physics.

How is charge transport different in ionic liquids and electrolyte solutions?

C. Margulis, Hemant K. Kashyap, F. Raineri, 2011, The journal of physical chemistry. B.

Capillary evaporation of the ionic liquid [EMIM][BF4] in nanoscale solvophobic confinement.

Richard C. Remsing, G. Shrivastav, Hemant K. Kashyap, 2018, The Journal of chemical physics.

A coarse-grained model of dimethyl sulfoxide for molecular dynamics simulations with lipid membranes.

M. Kumari, Hemant K. Kashyap, Shobhna, 2020, The Journal of chemical physics.

Susceptibility of biomembrane structure towards amphiphiles, ionic liquids, and deep eutectic solvents

M. Kumari, Hemant K. Kashyap, Shobhna, 2020 .

Ions in a binary asymmetric dipolar mixture: mole fraction dependent Born energy of solvation and partial solvent polarization structure.

R. Biswas, Hemant K. Kashyap, 2007, The Journal of chemical physics.

Design of a flexible organometallic tecton: host-guest chemistry with picric acid and self-assembly of platinum macrocycles.

Supreet Kaur, Hemant K. Kashyap, Sourav Bhowmick, 2017, Dalton transactions.

Molecular dynamics simulations of cholesterol-rich membranes using a coarse-grained force field for cyclic alkanes.

Jeffery B. Klauda, Christopher M. MacDermaid, M. Klein, 2015, The Journal of chemical physics.

Communication: Nanoscale structure of tetradecyltrihexylphosphonium based ionic liquids.

C. Margulis, J. Araque, Hemant K. Kashyap, 2016, The Journal of chemical physics.

Microstructure of Deep Eutectic Solvents: Current Understanding and Challenges.

M. Kumari, Supreet Kaur, Hemant K. Kashyap, 2020, The journal of physical chemistry. B.

Composition dependent structural organization in trihexyl(tetradecyl)phosphonium chloride ionic liquid-methanol mixtures.

Shobha Sharma, Aditya Gupta, Hemant K. Kashyap, 2015, The Journal of chemical physics.

How does the ionic liquid organizational landscape change when nonpolar cationic alkyl groups are replaced by polar isoelectronic diethers?

C. Margulis, E. Castner, N. Murthy, 2013, The journal of physical chemistry. B.

Mechanistic Insight on the Stability of Ether and Fluorinated Ether Solvent-Based Lithium Bis(fluoromethanesulfonyl) Electrolytes near Li Metal Surface

J. Kuo, Hemant K. Kashyap, Harender S. Dhattarwal, 2022, The Journal of Physical Chemistry C.

Heterogeneity and Nanostructure of Superconcentrated LiTFSI-EmimTFSI Hybrid Aqueous Electrolytes: Beyond the 21 m Limit of Water-in-Salt Electrolyte.

Hemant K. Kashyap, Harender S. Dhattarwal, 2022, The journal of physical chemistry. B.

Anionic Lipid Clustering-Mediated Bactericidal Activity and Selective Toxicity of Quaternary Ammonium-Substituted Polycationic Pullulan against the Staphylococcus aureus Bacterial Membrane.

Shounak Roy, Hemant K. Kashyap, M. Kumari, 2022, Langmuir : the ACS journal of surfaces and colloids.

Facile construction of AuNP modulated SDS-wrapped G-TC-tailored electrode for sensitive detection of ascorbic acid

V. K. Rai, Hemant K. Kashyap, Ankita Rai, 2017 .

Solvent Organization around Methane Dissolved in Archetypal Reline and Ethaline Deep Eutectic Solvents as Revealed by AIMD Investigation.

Hemant K. Kashyap, Akshay Malik, 2022, The journal of physical chemistry. B.

Molecular dynamics investigation of electrostatic properties of pyrrolidinium cation based ionic liquids near electrified carbon electrodes

Shobha Sharma, Hemant K. Kashyap, Harender S. Dhattarwal, 2019, Journal of Molecular Liquids.

Intrusion and extrusion of liquids in highly confining media: bridging fundamental research to applications

S. Meloni, Y. Grosu, R. Roth, 2022 .

Non-ideality in Born-free energy of solvation in alcohol-water and dimethylsulfoxide-acetonitrile mixtures: Solvent size ratio and ion size dependence

R. Biswas, Hemant K. Kashyap, 2007 .

SAXS anti-peaks reveal the length-scales of dual positive-negative and polar-apolar ordering in room-temperature ionic liquids.

C. Margulis, Hemant K. Kashyap, Harsha. V. R. Annapureddy, 2012, Chemical communications.

Limiting ionic conductivity and solvation dynamics in formamide.

R. Biswas, Hemant K. Kashyap, Tuhin Pradhan, 2006, The Journal of chemical physics.

Enhancing the Livelihood of Himalayan Communities through Action Research and Transforming Wild Produce into High-value Products

Hemant K. Kashyap, M. Garg, M. S. Kunwar, 2021 .

A facile and efficient carbocatalytic route to quaternary C-bearing N-tosylaziridines from Morita-Baylis-Hillman adduct in water

P. Shukla, V. K. Rai, Hemant K. Kashyap, 2019, Tetrahedron Letters.

Decoration of GO with Fe spinel-Naf/DMAP: an electrochemical probe for sensing H2O2 reduction

I. Tiwari, V. K. Rai, Hemant K. Kashyap, 2016 .

Germylene stabilized group 12 metal complexes and their reactivity with chalcogens.

M. K. Sharma, Supreet Kaur, Hemant K. Kashyap, 2019, Dalton transactions.

Solvent sorting in (mixed solvent + electrolyte) systems: Time-resolved fluorescence measurements and theory

R. Biswas, Hemant K. Kashyap, Harun AL Rasidgazi, 2015, Journal of Chemical Sciences.

What is the origin of the prepeak in the X-ray scattering of imidazolium-based room-temperature ionic liquids?

C. Margulis, Pablo M. De Biase, Hemant K. Kashyap, 2010, The journal of physical chemistry. B.

Three-dimensional Morphology and X-ray Scattering Structure of Aqueous tert-Butanol Mixtures: A Molecular Dynamics Study

Supreet Kaur, Hemant K. Kashyap, 2017, Journal of Chemical Sciences.

Dipolar solvation dynamics in room temperature ionic liquids: an effective medium calculation using dielectric relaxation data.

R. Biswas, Hemant K. Kashyap, 2008, The journal of physical chemistry. B.

Synthesis and Redox Properties of Superbenzene Porphyrin Conjugates.

A. Dandia, Sharvan Kumar, Hemant K. Kashyap, 2020, Inorganic chemistry.

Stokes shift dynamics in ionic liquids: temperature dependence.

R. Biswas, Hemant K. Kashyap, 2010, The journal of physical chemistry. B.

Fluorescence spectroscopic studies of (acetamide + sodium/potassium thiocyanates) molten mixtures: composition and temperature dependence.

R. Biswas, Hemant K. Kashyap, Biswajit Guchhait, 2010, The journal of physical chemistry. B.

Dynamics of excess electronic charge in aliphatic ionic liquids containing the bis(trifluoromethylsulfonyl)amide anion.

Aleksander E. P. Durumeric, C. Margulis, Changhui Xu, 2013, Journal of the American Chemical Society.

Mechanistic Insight on BioIL-Induced Structural Alterations in DMPC Lipid Bilayer.

M. Kumari, Hemant K. Kashyap, Shobhna, 2021, The journal of physical chemistry. B.

Cellulose conversion to biofuel precursors using conjugated ionic liquid catalyst: An experimental and DFT study†

Hemant K. Kashyap, S. Upadhyayula, Vikash Khatri, 2021, Applied Catalysis A: General.

Unique and generic structural features of cholinium amino acid-based biocompatible ionic liquids.

Hemant K. Kashyap, Harender S. Dhattarwal, 2021, Physical chemistry chemical physics : PCCP.

Temperature-dependent structure of ionic liquids: X-ray scattering and simulations.

C. Margulis, E. Castner, N. Murthy, 2012, Faraday discussions.

Bulk and interfacial structures of reline deep eutectic solvent: A molecular dynamics study.

Shobha Sharma, Supreet Kaur, Hemant K. Kashyap, 2017, The Journal of chemical physics.

Structure of Quaternary Ammonium Ionic Liquids at Interfaces: Effects of Cation Tail Modification with Isoelectronic Groups

Shobha Sharma, Hemant K. Kashyap, 2015 .

Probing the triplet correlation function in liquid water by experiments and molecular simulations.

C. Chakravarty, L. Skinner, Debdas Dhabal, 2017, Physical chemistry chemical physics : PCCP.

Temperature-dependent structure of methyltributylammonium bis(trifluoromethylsulfonyl)amide: X ray scattering and simulations.

C. Margulis, E. Castner, N. Murthy, 2011, The Journal of chemical physics.

Heterogeneity in hydrophobic deep eutectic solvents: SAXS prepeak and local environments.

Hemant K. Kashyap, Akshay Malik, 2021, Physical chemistry chemical physics : PCCP.

Anions, the Reporters of Structure in Ionic Liquids.

C. Margulis, Hemant K. Kashyap, Harsha. V. R. Annapureddy, 2013, The journal of physical chemistry letters.

Sensitivity and Resilience of Phosphatidylcholine and Phosphatidylethanolamine Lipid Membranes against Cholinium Glycinate Biocompatible Ionic Liquid.

P. Kumari, Hemant K. Kashyap, 2019, The journal of physical chemistry. B.

Solvation Shell Structures of Ammonia in Reline and Ethaline Deep Eutectic Solvents.

Hemant K. Kashyap, Akshay Malik, 2023, The journal of physical chemistry. B.

Distinct Solvation Structures of CO2 and SO2 in Reline and Ethaline Deep Eutectic Solvents Revealed by AIMD Simulations.

Hemant K. Kashyap, Harender S. Dhattarwal, Akshay Malik, 2021, The journal of physical chemistry. B.

Structural investigation of room-temperature ionic liquids and high-temperature ionic melts using triplet correlation functions

Aditya Gupta, Debdas Dhabal, Hemant K. Kashyap, 2017 .

Bio-reduction of Graphene Oxide: Catalytic Applications of (Reduced) GO in Organic Synthesis.

V. K. Rai, Hemant K. Kashyap, Ankita Rai, 2020, Current organic synthesis.

Concentration-dependent structure and dynamics of aqueous LiCl solutions: A molecular dynamics study

C. Chakravarty, Hemant K. Kashyap, Saurav Prasad, 2017 .

Solvation dynamics of dipolar probes in dipolar room temperature ionic liquids: separation of ion-dipole and dipole-dipole interaction contributions.

R. Biswas, Hemant K. Kashyap, 2010, The journal of physical chemistry. B.

Deciphering Ethanol-Driven Swelling, Rupturing, Aggregation, and Fusion of Lipid Vesicles Using Coarse-Grained Molecular Dynamics Simulations.

Hemant K. Kashyap, Shobhna, 2022, Langmuir : the ACS journal of surfaces and colloids.

AuNPs/Neutral red-biofunctionalized graphene nanocomposite for nonenzymatic electrochemical detection of organophosphate via NO2 reduction

V. K. Rai, Hemant K. Kashyap, Ankita Rai, 2019, Sensors and Actuators B: Chemical.

Computational and experimental approach to evaluate the effect of initiator concentration, solvents, and enes on the TEMPO driven thiol–ene reaction

Hemant K. Kashyap, L. Nebhani, Vikash Khatri, 2020 .

Pressure-dependent morphology of trihexyl(tetradecyl)phosphonium ionic liquids: A molecular dynamics study.

Shobha Sharma, Aditya Gupta, Debdas Dhabal, 2016, The Journal of chemical physics.

How the Structure of Pyrrolidinium Ionic Liquids Is Susceptible to High Pressure.

Shobha Sharma, Aditya Gupta, Hemant K. Kashyap, 2016, The journal of physical chemistry. B.

An Overview of Structure and Dynamics Associated with Hydrophobic Deep Eutectic Solvents and Their Applications in Extraction Processes.

Hemant K. Kashyap, Harender S. Dhattarwal, Akshay Malik, 2022, Chemphyschem : a European journal of chemical physics and physical chemistry.

Anatomy of Microscopic Structure of Ethaline Deep Eutectic Solvent Decoded Through Molecular Dynamics Simulations.

Supreet Kaur, Hemant K. Kashyap, Akshay Malik, 2019, The journal of physical chemistry. B.

How Hydration Affects the Microscopic Structural Morphology in a Deep Eutectic Solvent.

Supreet Kaur, Aditya Gupta, Hemant K. Kashyap, 2020, The journal of physical chemistry. B.

Thermodynamic regimes over which homologous alkane fluids can be treated as simple liquids

C. Chakravarty, G. Shrivastav, Manish Agarwal, 2017 .

Nanoscale Spatial Heterogeneity in Deep Eutectic Solvents.

Supreet Kaur, Aditya Gupta, Hemant K. Kashyap, 2016, The journal of physical chemistry. B.

Structure of 1-alkyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)amide ionic liquids with linear, branched, and cyclic alkyl groups.

C. Margulis, E. Castner, N. Murthy, 2013, The journal of physical chemistry. B.

Wrapping-Trapping versus Extraction Mechanism of Bactericidal Activity of MoS2 Nanosheets against Staphylococcus aureus Bacterial Membrane.

Hemant K. Kashyap, M. Kumari, 2023, Langmuir : the ACS journal of surfaces and colloids.

Molecular Dynamics Evaluation of the Effect of Cholinium Phenylalaninate Biocompatible Ionic Liquid on Biomimetic Membranes.

M. Kumari, Aditya Gupta, Hemant K. Kashyap, 2020, The journal of physical chemistry. B.

Unusual Temperature Dependence of Nanoscale Structural Organization in Deep Eutectic Solvents.

Supreet Kaur, Hemant K. Kashyap, 2018, The journal of physical chemistry. B.

Mechanistic Insight on the Formation of a Solid Electrolyte Interphase (SEI) by an Acetonitrile-Based Superconcentrated [Li][TFSI] Electrolyte near Lithium Metal

J. Kuo, Hemant K. Kashyap, Yun-Wen Chen, 2020 .

DMSO induced dehydration of heterogeneous lipid bilayers and its impact on their structures.

P. Kumari, Hemant K. Kashyap, 2019, The Journal of chemical physics.

Counter-effects of Ethanol and Cholesterol on Heterogeneous PSM-POPC Lipid Membrane: A Molecular Dynamics Simulation Study.

P. Kumari, M. Kumari, Hemant K. Kashyap, 2019, The journal of physical chemistry. B.

Interfacial Structure of Pyrrolidinium Cation Based Ionic Liquids at Charged Carbon Electrodes: The Role of Linear and Nonlinear Alkyl Tails

Shobha Sharma, Hemant K. Kashyap, 2017 .

Comparison of liquid-state anomalies in Stillinger-Weber models of water, silicon, and germanium.

C. Chakravarty, V. Molinero, Debdas Dhabal, 2016, The Journal of chemical physics.

Communication: Anomalous temperature dependence of the intermediate range order in phosphonium ionic liquids.

C. Margulis, Hemant K. Kashyap, J. Hettige, 2014, The Journal of chemical physics.

Insights Gained from Refined Force-Field for Pure and Aqueous Ethylene Glycol through Molecular Dynamics Simulations.

Supreet Kaur, Hemant K. Kashyap, Shobhna, 2019, The journal of physical chemistry. B.

Mechanistic Evaluation of Lipopolysaccharide-Alexidine Interaction Using Spectroscopic and in Silico Approaches.

Shalini Gupta, P. Kumari, S. Khanna, 2018, ACS Infectious Diseases.

Control of Ziegler–Natta catalyst activity by the structural design of alkoxysilane-based external donors

Gurmeet Singh, G. S. Kapur, Hemant K. Kashyap, 2020, New Journal of Chemistry.

Microstructures of Choline Amino Acid based Biocompatible Ionic Liquids

Hemant K. Kashyap, Harender S. Dhattarwal, 2023, Chemical record.

Capillary evaporation of the ionic liquid [EMIM][BF4] in nanoscale solvophobic confinement.

Richard C. Remsing, G. Shrivastav, Hemant K. Kashyap, 2018, The Journal of chemical physics.

Role of Model Proteins on Membrane Fusion

M. Klein, G. Fiorin, Hemant K. Kashyap, 2014 .

How Pure and Hydrated Reline Deep Eutectic Solvents Affect the Conformation and Stability of Lysozyme: Insights from Atomistic Molecular Dynamics Simulations.

P. Kumari, M. Kumari, Hemant K. Kashyap, 2020, The journal of physical chemistry. B.

Molecular dynamics investigation of wetting-dewetting behavior of model carbon material by 1-butyl-3-methylimidazolium acetate ionic liquid nanodroplet.

Hemant K. Kashyap, Harender S. Dhattarwal, 2019, The Journal of chemical physics.

How NaFTA salt affects the structural landscape and transport properties of Pyrr1,3FTA ionic liquid.

Hemant K. Kashyap, Harender S. Dhattarwal, Navneetkumar R. Singh, 2023, The Journal of chemical physics.

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

Hemant K. Kashyap, Akshay Malik, Mrityunjay K Jha, 2023, Journal of Molecular Liquids.

Nanoscale heterogeneity, hydrogen bonding and their temperature dependence in cholinium phenylalaninate bio-ionic liquid

Aditya Gupta, Hemant K. Kashyap, 2021 .

How Water Permutes the Structural Organization and Microscopic Dynamics of Cholinium Glycinate Biocompatible Ionic Liquid.

Supreet Kaur, Aditya Gupta, Hemant K. Kashyap, 2019, The journal of physical chemistry. B.

Structures of binary mixtures of ionic liquid 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide with primary alcohols: The role of hydrogen-bonding

Hemant K. Kashyap, Sraddha Agrawal, 2018, Journal of Molecular Liquids.

(Keynote) Theoretical Deconstruction of the X-ray Structure Function Exposes Polarity Alternations in Room Temperature Ionic Liquids

C. Margulis, Hemant K. Kashyap, 2013 .

Structure of cholinium glycinate biocompatible ionic liquid at graphite electrode interface.

Aditya Gupta, Hemant K. Kashyap, Harender S. Dhattarwal, 2021, The Journal of chemical physics.

Design and synthesis of β-carboline and combretastatin derivatives as anti-neutrophilic inflammatory agents.

Huang-Ping Yu, T. Hwang, Yu-Chia Chang, 2021, Bioorganic chemistry.

Synthesis of an oxygenated fuel additive from a waste biomass derived aldehyde using a green catalyst: an experimental and DFT study

Hemant K. Kashyap, S. Upadhyayula, Vikash Khatri, 2020 .

Molecular dynamics investigation of wetting-dewetting behavior of reline DES nanodroplet at model carbon material.

Hemant K. Kashyap, Harender S. Dhattarwal, Akshay Malik, 2020, The Journal of chemical physics.

How Flexibility of the Nanoscale Solvophobic Confining Material Promotes Capillary Evaporation of Ionic Liquids

Richard C. Remsing, Hemant K. Kashyap, Harender S. Dhattarwal, 2020 .

Unveiling the Influence of Ionic Liquid on the Interfacial Structure and Capacitive Performance of Water-in-Salt Electrolytes at Graphite Electrodes

Hemant K. Kashyap, Harender S. Dhattarwal, 2023, The Journal of Physical Chemistry C.

Bulk and interfacial structures of reline deep eutectic solvent: A molecular dynamics study.

Shobha Sharma, Supreet Kaur, Hemant K. Kashyap, 2017, The Journal of chemical physics.

Solvation Shell Anatomy of H2S and CO Dissolved in Reline and Ethaline Deep Eutectic Solvents.

Hemant K. Kashyap, Akshay Malik, 2023, The journal of physical chemistry. B.

Structure of 1-alkyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)amide ionic liquids with linear, branched, and cyclic alkyl groups.

C. Margulis, E. Castner, N. Murthy, 2013, Journal of Physical Chemistry B.

What is the origin of the prepeak in the X-ray scattering of imidazolium-based room-temperature ionic liquids?

C. Margulis, Pablo M. De Biase, Hemant K. Kashyap, 2010, The journal of physical chemistry. B.

Are NaTFSI and NaFSI Salt-Based Water-in-Salt Electrolytes Structurally Similar or Different?

Hemant K. Kashyap, Navneet Singh, 2024, The journal of physical chemistry. B.