| Year |
Citation |
Score |
| 2023 |
Singh N, Jha MK, Dhattarwal HS, Kashyap HK. How NaFTA salt affects the structural landscape and transport properties of PyrrFTA ionic liquid. The Journal of Chemical Physics. 158: 104502. PMID 36922141 DOI: 10.1063/5.0133966 |
0.324 |
|
| 2022 |
Malik A, Kashyap HK. Solvent Organization around Methane Dissolved in Archetypal Reline and Ethaline Deep Eutectic Solvents as Revealed by AIMD Investigation. The Journal of Physical Chemistry. B. 126: 6472-6482. PMID 35977089 DOI: 10.1021/acs.jpcb.2c02406 |
0.331 |
|
| 2021 |
Dhattarwal HS, Remsing RC, Kashyap HK. Intercalation-deintercalation of water-in-salt electrolytes in nanoscale hydrophobic confinement. Nanoscale. PMID 33586725 DOI: 10.1039/d0nr08163a |
0.639 |
|
| 2020 |
Kumari M, Gupta A, Shobhna, Kashyap HK. Molecular Dynamics Evaluation of the Effect of Cholinium Phenylalaninate Biocompatible Ionic Liquid on Biomimetic Membranes. The Journal of Physical Chemistry. B. 124: 6748-6762. PMID 32786926 DOI: 10.1021/Acs.Jpcb.0C03433 |
0.399 |
|
| 2020 |
Shobhna, Kumari M, Kashyap HK. A coarse-grained model of dimethyl sulfoxide for molecular dynamics simulations with lipid membranes. The Journal of Chemical Physics. 153: 035104. PMID 32716195 DOI: 10.1063/5.0014614 |
0.363 |
|
| 2020 |
Kaur S, Gupta A, Kashyap HK. How Hydration Affects the Microscopic Structural Morphology in a Deep Eutectic Solvent. The Journal of Physical Chemistry. B. PMID 32105490 DOI: 10.1021/Acs.Jpcb.9B11753 |
0.379 |
|
| 2020 |
Dhattarwal HS, Remsing RC, Kashyap HK. How Flexibility of the Nanoscale Solvophobic Confining Material Promotes Capillary Evaporation of Ionic Liquids The Journal of Physical Chemistry C. 124: 4899-4906. DOI: 10.1021/Acs.Jpcc.9B11755 |
0.687 |
|
| 2019 |
Dhattarwal HS, Kashyap HK. Molecular dynamics investigation of wetting-dewetting behavior of model carbon material by 1-butyl-3-methylimidazolium acetate ionic liquid nanodroplet. The Journal of Chemical Physics. 151: 244705. PMID 31893910 DOI: 10.1063/1.5131851 |
0.366 |
|
| 2019 |
Kumari P, Kashyap HK. DMSO induced dehydration of heterogeneous lipid bilayers and its impact on their structures. The Journal of Chemical Physics. 151: 215103. PMID 31822068 DOI: 10.1063/1.5127852 |
0.341 |
|
| 2019 |
Kaur S, Malik A, Kashyap HK. Anatomy of Microscopic Structure of Ethaline Deep Eutectic Solvent Decoded Through Molecular Dynamics Simulations. The Journal of Physical Chemistry. B. PMID 31448914 DOI: 10.1021/Acs.Jpcb.9B06624 |
0.373 |
|
| 2019 |
Kaur S, Shobhna, Kashyap HK. Insights Gained from Refined Force-Field for Pure and Aqueous Ethylene Glycol through Molecular Dynamics Simulations. The Journal of Physical Chemistry. B. PMID 31335141 DOI: 10.1021/Acs.Jpcb.9B03950 |
0.446 |
|
| 2019 |
Kumari P, Kashyap HK. Sensitivity and Resilience of Phosphatidylcholine and Phosphatidylethanolamine Lipid Membranes Against Cholinium Glycinate Bio-Compatible Ionic Liquid. The Journal of Physical Chemistry. B. PMID 31059265 DOI: 10.1021/Acs.Jpcb.9B02800 |
0.346 |
|
| 2019 |
Gupta A, Kaur S, Kashyap HK. How Water Permutes the Structural Organization and Microscopic Dynamics of Cholinium Glycinate Bio-Compatible Ionic Liquid. The Journal of Physical Chemistry. B. PMID 30740977 DOI: 10.1021/Acs.Jpcb.8B10235 |
0.407 |
|
| 2019 |
Sharma S, Dhattarwal HS, Kashyap HK. Molecular dynamics investigation of electrostatic properties of pyrrolidinium cation based ionic liquids near electrified carbon electrodes Journal of Molecular Liquids. 291: 111269. DOI: 10.1016/J.Molliq.2019.111269 |
0.378 |
|
| 2018 |
Shrivastav G, Remsing RC, Kashyap HK. Capillary evaporation of the ionic liquid [EMIM][BF] in nanoscale solvophobic confinement. The Journal of Chemical Physics. 148: 193810. PMID 30307173 DOI: 10.1063/1.5010259 |
0.694 |
|
| 2018 |
Kumari P, Kaur S, Sharma S, Kashyap HK. Impact of amphiphilic molecules on the structure and stability of homogeneous sphingomyelin bilayer: Insights from atomistic simulations. The Journal of Chemical Physics. 148: 165102. PMID 29716234 DOI: 10.1063/1.5021310 |
0.317 |
|
| 2018 |
Kaur S, Kashyap HK. Unusual Temperature Dependence of Nanoscale Structural Organization in Deep Eutectic Solvents. The Journal of Physical Chemistry. B. PMID 29701061 DOI: 10.1021/Acs.Jpcb.8B02378 |
0.439 |
|
| 2018 |
Agrawal S, Kashyap HK. Structures of binary mixtures of ionic liquid 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide with primary alcohols: The role of hydrogen-bonding Journal of Molecular Liquids. 261: 337-349. DOI: 10.1016/J.Molliq.2018.03.124 |
0.398 |
|
| 2017 |
Kaur S, Sharma S, Kashyap HK. Bulk and interfacial structures of reline deep eutectic solvent: A molecular dynamics study. The Journal of Chemical Physics. 147: 194507. PMID 29166122 DOI: 10.1063/1.4996644 |
0.398 |
|
| 2017 |
Shrivastav G, Gupta A, Rastogi A, Dhabal D, Kashyap HK. Molecular dynamics study of nanoscale organization and hydrogen bonding in binary mixtures of butylammonium nitrate ionic liquid and primary alcohols. The Journal of Chemical Physics. 146: 064503. PMID 28201881 DOI: 10.1063/1.4975172 |
0.383 |
|
| 2017 |
Dhabal D, Wikfeldt KT, Skinner LB, Chakravarty C, Kashyap HK. Probing the triplet correlation function in liquid water by experiments and molecular simulations. Physical Chemistry Chemical Physics : Pccp. PMID 28084487 DOI: 10.1039/C6Cp07599A |
0.428 |
|
| 2017 |
Dhabal D, Gupta A, Kashyap HK. Structural investigation of room-temperature ionic liquids and high-temperature ionic melts using triplet correlation functions The Journal of Chemical Physics. 146: 094503. DOI: 10.1063/1.4976305 |
0.498 |
|
| 2017 |
Sharma S, Kashyap HK. Interfacial Structure of Pyrrolidinium Cation Based Ionic Liquids at Charged Carbon Electrodes: The Role of Linear and Nonlinear Alkyl Tails The Journal of Physical Chemistry C. 121: 13202-13210. DOI: 10.1021/Acs.Jpcc.7B03225 |
0.4 |
|
| 2017 |
Shrivastav G, Agarwal M, Chakravarty C, Kashyap HK. Thermodynamic regimes over which homologous alkane fluids can be treated as simple liquids Journal of Molecular Liquids. 231: 106-115. DOI: 10.1016/J.Molliq.2017.01.085 |
0.414 |
|
| 2017 |
Prasad S, Chakravarty C, Kashyap HK. Concentration-dependent structure and dynamics of aqueous LiCl solutions: A molecular dynamics study Journal of Molecular Liquids. 225: 240-250. DOI: 10.1016/J.Molliq.2016.11.042 |
0.434 |
|
| 2017 |
Kaur S, Kashyap HK. Three-dimensional Morphology and X-ray Scattering Structure of Aqueous tert -Butanol Mixtures: A Molecular Dynamics Study Journal of Chemical Sciences. 129: 103-116. DOI: 10.1007/S12039-016-1207-9 |
0.414 |
|
| 2016 |
Dhabal D, Chakravarty C, Molinero V, Kashyap HK. Comparison of liquid-state anomalies in Stillinger-Weber models of water, silicon, and germanium. The Journal of Chemical Physics. 145: 214502. PMID 28799375 DOI: 10.1063/1.4967939 |
0.456 |
|
| 2016 |
Sharma S, Gupta A, Dhabal D, Kashyap HK. Pressure-dependent morphology of trihexyl(tetradecyl)phosphonium ionic liquids: A molecular dynamics study. The Journal of Chemical Physics. 145: 134506. PMID 27782448 DOI: 10.1063/1.4963271 |
0.409 |
|
| 2016 |
Kaur S, Gupta A, Kashyap HK. Nanoscale Spatial Heterogeneity in Deep Eutectic Solvents. The Journal of Physical Chemistry. B. PMID 27314310 DOI: 10.1021/Acs.Jpcb.6B04187 |
0.405 |
|
| 2016 |
Hettige JJ, Araque JC, Kashyap HK, Margulis CJ. Communication: Nanoscale structure of tetradecyltrihexylphosphonium based ionic liquids. The Journal of Chemical Physics. 144: 121102. PMID 27036419 DOI: 10.1063/1.4944678 |
0.684 |
|
| 2016 |
Sharma S, Gupta A, Kashyap HK. How Structure of Pyrrolidinium Ionic Liquids is Susceptible to High Pressure. The Journal of Physical Chemistry. B. PMID 26959516 DOI: 10.1021/Acs.Jpcb.6B01133 |
0.415 |
|
| 2015 |
MacDermaid CM, Kashyap HK, DeVane RH, Shinoda W, Klauda JB, Klein ML, Fiorin G. Molecular dynamics simulations of cholesterol-rich membranes using a coarse-grained force field for cyclic alkanes. The Journal of Chemical Physics. 143: 243144. PMID 26723629 DOI: 10.1063/1.4937153 |
0.444 |
|
| 2015 |
Gupta A, Sharma S, Kashyap HK. Composition dependent structural organization in trihexyl(tetradecyl)phosphonium chloride ionic liquid-methanol mixtures. The Journal of Chemical Physics. 142: 134503. PMID 25854249 DOI: 10.1063/1.4916308 |
0.534 |
|
| 2015 |
Sharma S, Kashyap HK. Structure of Quaternary Ammonium Ionic Liquids at Interfaces: Effects of Cation Tail Modification with Isoelectronic Groups The Journal of Physical Chemistry C. 119: 23955-23967. DOI: 10.1021/Acs.Jpcc.5B06460 |
0.424 |
|
| 2015 |
Rasidgazi HAL, Kashyap HK, Biswas R. Solvent sorting in (mixed solvent + electrolyte) systems: Time-resolved fluorescence measurements and theory Journal of Chemical Sciences. 127: 61-70. DOI: 10.1007/S12039-014-0750-5 |
0.594 |
|
| 2014 |
Hettige JJ, Kashyap HK, Margulis CJ. Communication: Anomalous temperature dependence of the intermediate range order in phosphonium ionic liquids. The Journal of Chemical Physics. 140: 111102. PMID 24655164 DOI: 10.1063/1.4867900 |
0.693 |
|
| 2014 |
Ramadugu SK, Li Z, Kashyap HK, Margulis CJ. The role of Glu41 in the binding of dimannose to P51G-m4-CVN. Biochemistry. 53: 1477-84. PMID 24524298 DOI: 10.1021/Bi4014159 |
0.586 |
|
| 2014 |
Kashyap HK, Klein ML, Fiorin G. Role of Model Proteins on Membrane Fusion Biophysical Journal. 106: 504a. DOI: 10.1016/J.Bpj.2013.11.2821 |
0.309 |
|
| 2013 |
Hettige JJ, Kashyap HK, Annapureddy HV, Margulis CJ. Anions, the Reporters of Structure in Ionic Liquids. The Journal of Physical Chemistry Letters. 4: 105-10. PMID 26291220 DOI: 10.1021/Jz301866F |
0.702 |
|
| 2013 |
Xu C, Durumeric A, Kashyap HK, Kohanoff J, Margulis CJ. Dynamics of excess electronic charge in aliphatic ionic liquids containing the bis(trifluoromethylsulfonyl)amide anion. Journal of the American Chemical Society. 135: 17528-36. PMID 24156701 DOI: 10.1021/Ja409338Z |
0.647 |
|
| 2013 |
Kashyap HK, Santos CS, Murthy NS, Hettige JJ, Kerr K, Ramati S, Gwon J, Gohdo M, Lall-Ramnarine SI, Wishart JF, Margulis CJ, Castner EW. Structure of 1-alkyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)amide ionic liquids with linear, branched, and cyclic alkyl groups. The Journal of Physical Chemistry. B. 117: 15328-37. PMID 23750608 DOI: 10.1021/Jp403518J |
0.707 |
|
| 2013 |
Kashyap HK, Santos CS, Daly RP, Hettige JJ, Murthy NS, Shirota H, Castner EW, Margulis CJ. How does the ionic liquid organizational landscape change when nonpolar cationic alkyl groups are replaced by polar isoelectronic diethers? The Journal of Physical Chemistry. B. 117: 1130-5. PMID 23259707 DOI: 10.1021/Jp311032P |
0.697 |
|
| 2012 |
Kashyap HK, Hettige JJ, Annapureddy HV, Margulis CJ. SAXS anti-peaks reveal the length-scales of dual positive-negative and polar-apolar ordering in room-temperature ionic liquids. Chemical Communications (Cambridge, England). 48: 5103-5. PMID 22523744 DOI: 10.1039/C2Cc30609C |
0.672 |
|
| 2012 |
Kashyap HK, Santos CS, Annapureddy HV, Murthy NS, Margulis CJ, Castner EW. Temperature-dependent structure of ionic liquids: X-ray scattering and simulations. Faraday Discussions. 154: 133-43; discussion 1. PMID 22455018 DOI: 10.1039/C1Fd00059D |
0.713 |
|
| 2012 |
Kashyap HK, Margulis CJ. Theoretical deconstruction of the x-ray structure function exposes polarity alternations in room temperature ionic liquids Ecs Transactions. 50: 301-307. DOI: 10.1149/05011.0301ecst |
0.657 |
|
| 2011 |
Kashyap HK, Annapureddy HV, Raineri FO, Margulis CJ. How is charge transport different in ionic liquids and electrolyte solutions? The Journal of Physical Chemistry. B. 115: 13212-21. PMID 22022889 DOI: 10.1021/Jp204182C |
0.677 |
|
| 2011 |
Santos CS, Annapureddy HV, Murthy NS, Kashyap HK, Castner EW, Margulis CJ. Temperature-dependent structure of methyltributylammonium bis(trifluoromethylsulfonyl)amide: X ray scattering and simulations. The Journal of Chemical Physics. 134: 064501. PMID 21322699 DOI: 10.1063/1.3526958 |
0.712 |
|
| 2010 |
Kashyap HK, Biswas R. Stokes shift dynamics in ionic liquids: temperature dependence. The Journal of Physical Chemistry. B. 114: 16811-23. PMID 21126013 DOI: 10.1021/Jp106271N |
0.661 |
|
| 2010 |
Annapureddy HV, Kashyap HK, De Biase PM, Margulis CJ. What is the origin of the prepeak in the X-ray scattering of imidazolium-based room-temperature ionic liquids? The Journal of Physical Chemistry. B. 114: 16838-46. PMID 21077649 DOI: 10.1021/Jp108545Z |
0.704 |
|
| 2010 |
Guchhait B, Gazi HA, Kashyap HK, Biswas R. Fluorescence spectroscopic studies of (acetamide + sodium/potassium thiocyanates) molten mixtures: composition and temperature dependence. The Journal of Physical Chemistry. B. 114: 5066-81. PMID 20345185 DOI: 10.1021/Jp1001176 |
0.756 |
|
| 2010 |
Kashyap HK, Biswas R. Solvation dynamics of dipolar probes in dipolar room temperature ionic liquids: separation of ion-dipole and dipole-dipole interaction contributions. The Journal of Physical Chemistry. B. 114: 254-68. PMID 20000373 DOI: 10.1021/Jp906023P |
0.64 |
|
| 2008 |
Kashyap HK, Biswas R. Dipolar solvation dynamics in room temperature ionic liquids: an effective medium calculation using dielectric relaxation data. The Journal of Physical Chemistry. B. 112: 12431-8. PMID 18774853 DOI: 10.1021/Jp8044516 |
0.638 |
|
| 2007 |
Kashyap HK, Biswas R. Ions in a binary asymmetric dipolar mixture: mole fraction dependent Born energy of solvation and partial solvent polarization structure. The Journal of Chemical Physics. 127: 184502. PMID 18020644 DOI: 10.1063/1.2792953 |
0.594 |
|
| 2007 |
Kashyap HK, Biswas R. Non-ideality in Born-free energy of solvation in alcohol-water and dimethylsulfoxide-acetonitrile mixtures: Solvent size ratio and ion size dependence Journal of Chemical Sciences. 119: 391-399. DOI: 10.1007/S12039-007-0051-3 |
0.593 |
|
| 2006 |
Kashyap HK, Pradhan T, Biswas R. Limiting ionic conductivity and solvation dynamics in formamide. The Journal of Chemical Physics. 125: 174506. PMID 17100453 DOI: 10.1063/1.2387947 |
0.604 |
|
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