Publications (since 2000)

Y. Shim, H. J. Kim and Y. Jung, Solvation of a Small Metal-Binding Peptide in Room-Temperature Ionic Liquids, Bull. Kor. Chem. Soc. 33, 3601–3606 (2012).

Y. Shim, H. J. Kim and Y. Jung, Graphene-based Supercapacitors in the Parallel-Plate Electrode Configuration: Ionic Liquid versus Organic Electrolyte, Faraday Discuss. 154, 249–263 (2012) .

Y. Shim, Y. Jung and H. J. Kim, Graphene-based Supercapacitors: A Computer Simulation Study, J. Phys. Chem. C, 115, 23574–23583 (2011).

N. R. Dhumal, H. J. Kim and J. Kiefer, Electronic Structure and Normal Vibrations of 1-Ethyl-3-methylimidazolium Ethylsulfate Ion Pair, J. Phys. Chem. A 115, 3551–3558 (2011).

Y. Shim, Y. Jung and H. J. Kim, Carbon Nanotubes in Benzene: Internal and External Solvation, Phys. Chem. Chem. Phys. 13, 3969–3978 (2011).

Y. Shim and H. J. Kim, MD Study of Solvation in the Mixture of a Room-Temperature Ionic Liquid and CO2, J. Phys. Chem. B 114, 10160–10170 (2010).

Y. Shim and H. J. Kim, Nanoporous Carbon Supercapacitors in an Ionic Liquid: A Computer Simulation Study, ACS Nano 4, 2345–2355 (2010). Also highlighted in NPG Asia Materials 2 (2010).

H. Kim, M. Y. Choi, H. J. Kim and M. Llinás, Conformational Dynamics and Ligand Binding in the Multi-Domain Protein PDC109, PLoS One 5(2): e9180 (2010).

D. Jeong, M. Y. Choi, H. J. Kim and Y. Jung, Fragility, Stokes-Einstein Violation and Correlated Local Excitations in a Coarse-grained Model of an Ionic Liquid, Phys. Chem. Chem. Phys. 12, 2001–2010 (2010).

Y. Shim and H. J. Kim, Adiabatic Electron Transfer in a Room-Temperature Ionic Liquid: Reaction Dynamics and Kinetics, J. Phys. Chem. B 113, 12964–12972 (2009).

N. R. Dhumal, H. J. Kim and J. Kiefer, Molecular Interactions in 1-Ethyl-3-methylimidazolium Acetate Ion Pair: A Density Functional Study, J. Phys. Chem. A 113, 10397–10404 (2009).

Y. Shim and H. J. Kim, Solvation of Carbon Nanotubes in a Room-Temperature Ionic Liquid, ACS Nano 3, 1693–1702 (2009).

Y. Shim and H. J. Kim, On Dielectric Relaxation, Ion Conductivity, Solvent Rotation and Solvation Dynamics in a Room-Temperature Ionic Liquid, J. Phys. Chem. B 112, 11028–11038 (2008).

D. Jeong, M. Y. Choi, Y. Jung and H. J. Kim, 1/f Spectrum and Memory Function Analysis of Solvation Dynamics in a Room-Temperature Ionic Liquid, J. Chem. Phys. 128, 174504 (2008).

Y. Shim and H. J. Kim, MD Study of SN1 Reactivity of 2-Chloro-2-methylpropane in the Room-Temperature Ionic Liquid 1-Ethyl-3-methylimidazolium Hexafluorophosphate, J. Phys. Chem. B 112, 2637–2643 (2008).

Y. Shim and H. J. Kim, Electron Transfer Reactions in Supercritical Water, J. Phys. Chem. B 112, 585–594 (2008).

Y. Shim, D. Jeong, S. R. Manjari, M. Y. Choi, and H. J. Kim, Solvation, Solute Rotation and Vibration Relaxation, and Electron Transfer Reactions in Room-Temperature Ionic Liquids, Acc. Chem. Res. 40, 1130–1137 (2007).

D. Jeong, Y. Shim, M. Y. Choi, and H. J. Kim, Effects of Solute Electronic Polarizability on Solvation in a Room-Temperature Ionic Liquid, J. Phys. Chem. B 111, 4920–4925 (2007).

Y. Shim and H. J. Kim, Free Energy and Dynamics of Electron Transfer Reactions in a Room-Temperature Ionic Liquid, J. Phys. Chem. B 111, 4510–4519 (2007).

Y. Shim, D. Jeong, M. Y. Choi, and H. J. Kim, Rotational Dynamics of a Diatomic Solute in the Room-Temperature Ionic Liquid 1-Ethyl-3-Methylimidazolium Hexafluorophosphate, J. Chem. Phys. 125, 061102 (2006).

Y. Shim and H. J. Kim, Vibrational Energy Relaxation of a Diatomic Molecule in a Room-Temperature Ionic Liquid, J. Chem. Phys. 125, 024507 (2006).

S. R. Manjari and H. J. Kim, Free Energy, Entropy and Volume of Activation for Electron Transfer Reactions in a Polar Solvent, J. Chem. Phys. 125, 011101 (2006).

J. Duan, Y. Shim and H. J. Kim, Solvation in Supercritical Water, J. Chem. Phys. 124, 204504 (2006).

S. Dorairaj, J. Jeon and H. J. Kim, Solubility of Water in a Benzene-Cyclohexane Mixture, J. Phys. Chem. A 110, 429–435 (2006).

S. R. Manjari and H. J. Kim, Temperature- and Pressure-Dependence of the Outer-Sphere Reorganization Free Energy for Electron Transfer Reactions: A Continuum Approach, J. Phys. Chem. B 110, 494–500 (2006).

S. R. Manjari and H. J. Kim, On the Temperature and Pressure Dependences of Cavities in the Dielectric Continuum Picture, J. Chem. Phys. 123, 014504 (2005).

Y. Shim, M. Y. Choi and H. J. Kim, A Molecular Dynamics Computer Simulation Study of Room-Temperature Ionic Liquids. II. Equilibrium and Nonequilibrium Solvation Dynamics, J. Chem. Phys. 122, 044511 (2005).

Y. Shim, M. Y. Choi and H. J. Kim, A Molecular Dynamics Computer Simulation Study of Room-Temperature Ionic Liquids. I. Equilibrium Solvation Structure and Free Energetics, J. Chem. Phys. 122, 044510 (2005).

J. Jeon and H. J. Kim, A Continuum Theory of Solvation in Polarizable Quadrupolar Solvents. II. Solvation Free Energetics, Dynamics and Solvatochromism, J. Chem. Phys. 119, 8626–8635 (2003).

J. Jeon and H. J. Kim, A Continuum Theory of Solvation in Polarizable Quadrupolar Solvents. I. Formulation, J. Chem. Phys. 119, 8606–8625 (2003).

Y. Shim, J. Duan, M. Y. Choi and H. J. Kim, Solvation in Molecular Ionic Liquids, J. Chem. Phys. 119, 6411–6414 (2003).

S. Dorairaj and H. J. Kim, Excited-state Charge Transfer Dynamics of DMABN (p- Dimethylaminobenzonitrile) in Quadrupolar Solvents, J. Phys. Chem. A 106, 2322– 2327 (2002).

J. Jeon and H. J. Kim, A Continuum Reaction Field Theory of Polarizable, Non- dipolar, Quadrupolar Solvents: An Ab Initio Study of Equilibrium Solvation in Benzene, J. Solution Chem. 30, 849–860 (2001).

J. Jeon and H. J. Kim, Free Energies of Electron Transfer Reactions in Polarizable, Non-dipolar, Quadrupolar Solvents, J. Phys. Chem. A 104, 9812–9815 (2000).

C.-N. Yang and H. J. Kim, Dielectric Relaxation of Hot Water, J. Chem. Phys. 113, 6025–6028 (2000).

B. D. Bursulaya, J. Jeon, C.-N. Yang and H. J. Kim, On the Photoabsorption Spectroscopy of Water, J. Phys. Chem. A 104, 45–52 (2000).