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Showing results 1 to 14 of 14

1
Adsorption, dissociation, penetration, and diffusion of N-2 on and in bcc Fe: first-principles calculations

Yeo, Sang Chul; Han, Sang Soo; Lee, Hyuck Mo, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.15, no.14, pp.5186 - 5192, 2013-04

2
Calculation of solvation free energies of charged solutes using mixed cluster/continuum models

Bryantsev, VS; Diallo, Mamadou S; Goddard, WA, JOURNAL OF PHYSICAL CHEMISTRY B, v.112, no.32, pp.9709 - 9719, 2008-08

3
Computational understanding of Li-ion batteries

Urban, Alexander; Seo, Dong-Hwa; Ceder, Gerbrand, NPJ COMPUTATIONAL MATERIALS, v.2, 2016

4
Defect energetics in SrTiO3 symmetric tilt grain boundaries

Lee, HS; Mizoguchi, T; Mistui, J; Yamamoto, T; Kang, Suk-Joong L; Ikuhara, Y, PHYSICAL REVIEW B, v.83, no.10, 2011-03

5
Design of Robust and Reactive Nanoparticles with Atomic Precision: 13Ag-Ih and 12Ag-1X (X = Pd, Pt, Au, Ni, or Cu) Core-Shell Nanoparticles

Kim, Hyun-You; Kim, Da-Hye; Ryu, Ji-Hoon; Lee, Hyuck-Mo, JOURNAL OF PHYSICAL CHEMISTRY C, v.113, no.35, pp.15559 - 15564, 2009-09

6
Effect of various driving forces on heat and mass transfer in arc welding

Kim, WH; Fan, HG; Na, Suck-Joo, NUMERICAL HEAT TRANSFER PART A-APPLICATIONS, v.32, no.6, pp.633 - 652, 1997

7
Electronic and Bonding Properties of LiMn2O4 Spinel with Different Surface Orientations and Doping Elements and Their Effects on Manganese Dissolution

Lee, Yoon Koo; Park, Jonghyun; Lu, Wei, JOURNAL OF THE ELECTROCHEMICAL SOCIETY, v.163, no.7, pp.A1359 - A1368, 2016

8
First-Principles Studies on Twinnability of Magnesium Alloys: Effects of Yttrium and Lithium on Compression Twinning Deformation Processes

Kim, Won June; Han, Kyeong Hwan; Lee, Young Joo; Kim, Hyungjun; Lee, Eok Kyun, METALS AND MATERIALS INTERNATIONAL, v.24, no.4, pp.720 - 729, 2018-07

9
GW calculations on post-transition-metal oxides

Kang, Youngho; Kang, Gijae; Nahm, Ho-Hyun; Cho, Seong-Ho; Park, Young Soo; Han, Seungwu, PHYSICAL REVIEW B, v.89, no.16, 2014-04

10
Mechanistic Investigation of the Catalytic Decomposition of Ammonia (NH3) on an Fe(100) Surface: A DFT Study

Yeo, Sang Chul; Han, Sang Soo; Lee, Hyuck Mo, JOURNAL OF PHYSICAL CHEMISTRY C, v.118, no.10, pp.5309 - 5316, 2014-03

11
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

12
Phase transitions in the LiNi0.5Mn0.5O2 system with temperature

Hinuma Y (Hinuma, Yoyo); Meng YS (Meng, Ying S.); Kang KS (Kang, Kisuk); Ceder G (Ceder, Gerbrand), CHEMISTRY OF MATERIALS, v.19, no.7, pp.1790 - 1800, 2007-04

13
Selective Heterogeneous CO2 Electroreduction to Methanol

Back, Seoin; Kim, Hee-Jin; Jung, You-Sung, ACS CATALYSIS, v.5, no.2, pp.965 - 971, 2015-02

14
Theoretical Study on the Correlation between the Nature of Atomic Li Intercalation and Electrochemical Reactivity in TiS2 and TiO2

Kim Y.-S.; Kim H.-J.; Jeon Y.-A.; Kang Y.-M., JOURNAL OF PHYSICAL CHEMISTRY A, v.113, no.6, pp.1129 - 1133, 2009

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