학위논문(박사) - 한국과학기술원 : 화학과, 2017.2,[xiv, 146 p. :]
Density-functional theory; interfacial boundaries; grain/twin boundaries; many-body van der Waals correcton method; smeared dipole model; 밀도범함수이론; 계면; 입계/쌍정; 다체 반데르발스 보정법; 퍼진 쌍극자 모델
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