발행물

전체 논문

330

81

First-Principles Study of the α-β Phase Transition of Ferroelectric Poly(vinylidene difluoride): Observation of Multiple Transition Pathways
WJ Kim, MH Han, Y-H Shin, H Kim, EK Lee*
Journal of Physical Chemistry B, 1970

82

A Mechanistic Model for Hydrogen Activation, Spillover, and its Chemical Reaction in a Zeolite-encapsulated Pt Catalyst
H Shin, M Choi, H Kim*
Physical Chemistry Chemical Physics, 1970

83

Recent Development of Atom-pairwise van der Waals Corrections for Density Functional Theory: From Molecules to Solids
M Kim+, WJ Kim+, EK Lee*, S Lebègue*, H Kim*
International Journal of Quantum Chemistry (invited review), 1970

84

Recent Development of Atom-Pairwise van der Waals Corrections for Density Functional Theory: From Molecules to Solids
M Kim, WJ Kim, EK Lee*, S Lebègue*, H Kim*
Int. J. Quantum Chem., 1970

85

Hydration Thermodynamics of Non-Polar Aromatic Hydrocarbons: Comparison of Implicit and Explicit Solvation Models
H Lee, H-K Lim*, H Kim*
Molecules, 1970

86

Enthalpy-Entropy Interplay in π-Stacking Interaction of Benzene Dimer in Water
H Lee, F Dehez, C Chipot, H-K Lim*, H Kim*
J. Chem. Theory Comput., 1970

87

Multiscale Simulation Method for Quantitative Prediction of Surface Wettability at the Atomistic Level
S Gim, H-K Lim*, H Kim*
J. Phys. Chem. Lett., 1970

88

Structure, Dynamics, and Wettability of Water at Metal Interfaces
S Gim, KJ Cho, H-K Lim*, H Kim*
Sci. Rep., 1970

89

Insight into the Microenvironments of the Metal–Ionic Liquid Interface during Electrochemical CO2 Reduction
H-K Lim, Y Kwon, HS Kim, J Jeon, Y-H Kim, J-A Lim, B-S Kim, J Choi*, H Kim*
ACS Catal., 1970

90

Mixed Valence Perovskite Cs2Au2I6: A Potential Material for Thin-Film Pb-Free Photovoltaic Cells with Ultrahigh Efficiency
L Debbichi, S Lee, H Cho, AM Rappe, K-H Hong, MS Jang*, H Kim*
Adv. Mater., 1970