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Showing results 3 to 8 of 8

3
Molecular dynamics simulations for thermal transport behavior of InAs nanotubes: A role of symmetry

Yi, Suin; Kim, In; Pascal, Tod A.; Jung, Yousung, COMPUTATIONAL MATERIALS SCIENCE, v.70, pp.8 - 12, 2013-04

4
Multilayer Two-Dimensional Water Structure Confined in MoS2

Kwac, Kijeong; Kim, In; Pascal, Tod A.; Goddard, William K.; Park, Hyung Gyu; Jung, Yousung, JOURNAL OF PHYSICAL CHEMISTRY C, v.121, no.29, pp.16021 - 16028, 2017-07

5
On the absolute thermodynamics of water from computer simulations: A comparison of first-principles molecular dynamics, reactive and empirical force fields

Pascal, Tod A.; Schaerf, Daniel; Jung, Yousung; Kuehne, Thomas D., JOURNAL OF CHEMICAL PHYSICS, v.137, no.24, 2012-12

6
pH-Dependent Conformations for Hyperbranched Poly(ethylenimine) from All-Atom Molecular Dynamics

Kim, In; Pascal, Tod A.; Park, Seong-Jik; Diallo, Mamadou S; Goddard, William A., III; Jung, Yousung, MACROMOLECULES, v.51, no.6, pp.2187 - 2194, 2018-03

7
Scaled Effective Solvent Method for Predicting the Equilibrium Ensemble of Structures with Analysis of Thermodynamic Properties of Amorphous Polyethylene Glycol-Water Mixtures

Shin, Hyeyoung; Pascal, Tod A.; Goddard, William A., III; Kim, Hyungjun, JOURNAL OF PHYSICAL CHEMISTRY B, v.117, no.3, pp.916 - 927, 2013-01

8
The Role of Confined Water in Ionic Liquid Electrolytes for Dye-Sensitized Solar Cells

Jeon, Ji-Won; Kim, Hyung-Jun; Goddard, William A.; Pascal, Tod A.; Lee, Ga-In; Kang, Jeung-Ku, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.3, no.4, pp.556 - 559, 2012-02

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