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Browse "Dept. of Materials Science and Engineering(신소재공학과)" by Subject Density Functional Theory

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Showing results 1 to 5 of 5

1
Computational design of bimetallic nano catalyst and metal oxide catalysts : density functional theory and molecular dynamics studies = 전산모사를 이용한 이원계금속 및 금속산화물 나노촉매의 설계 : 전자밀도함수이론 및 분자동역학연구link

Kim, Hyun-You; 김현유; et al, 한국과학기술원, 2009

2
Design of iron system for enhancement of nitridation rate: multi-scale computer simulation = 질화속도 향상을 위한 철강시스템 설계: 멀티스케일 전산모사 연구link

Yeo, Sang-Chul; 여상철; et al, 한국과학기술원, 2014

3
Dynamic properties and ligand induced structural evolution of nanoparticles for catalysts: density functional theory and molecular dynamics studies = 촉매나노입자의 동역학적 특성 및 리간드에 의한 구조적 변화 연구: 전자밀도함수 이론 및 분자동역학연구link

Ryu, Ji-Hoon; 류지훈; et al, 한국과학기술원, 2011

4
Segregation and Internal Structures in the Bimetallic Clusters: Density Functional Theory and Molecular Dynamics Simulation

Ryu, Ji-Hoon; Kim, Hyun-You; Kim, Da-Hye; Choi, Si-Kyung; Lee, Hyuck-Mo, JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, v.9, no.4, pp.2553 - 2557, 2009-04

5
Temperature and Composition Dependent Structural Evolution of AgPd Bimetallic Nanoparticle: Phase Diagram of (AgPd)(151) Nanoparticle

Kim, Hyun-You; Kim, Da-Hye; Lee, Hyuck-Mo, JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, v.11, no.3, pp.2251 - 2255, 2011-03

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