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개별 C60 퓰러린 분자에 대한 분자축 배향에 따른 STM 이미지 해석


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C60의 최적화 구조의 원자 좌표 : B3LYP/6-31g(d)

C 0.000000 1.236839 3.328030
C -1.176304 0.382204 3.328030
C -0.726996 -1.000624 3.328030
C 0.726996 -1.000624 3.328030
C 1.176304 0.382204 3.328030
C 2.600831 -2.342897 0.593355
C 2.600831 -1.578488 1.830194
C 1.424527 -1.960693 2.594603
C 0.697531 -2.961317 1.830194
C 1.424527 -3.197532 0.593355
C -2.304933 1.985757 1.830194
C -3.031928 1.749542 0.593355
C -3.481237 0.366714 0.593355
C -3.031928 -0.251706 1.830194
C -2.304933 0.748918 2.594603
C 1.176304 -2.805754 -1.830194
C 0.726996 -3.424174 -0.593355
C -0.726996 -3.424174 -0.593355
C -1.176304 -2.805754 -1.830194
C 0.000000 -2.423549 -2.594603
C 2.304933 -1.985757 -1.830194
C 2.304933 -0.748918 -2.594603
C 3.031928 0.251706 -1.830194
C 3.481237 -0.366714 -0.593355
C 3.031928 -1.749542 -0.593355
C 0.000000 2.423549 2.594603
C 1.176304 2.805754 1.830194
C 0.726996 3.424174 0.593355
C -0.726996 3.424174 0.593355
C -1.176304 2.805754 1.830194
C -1.424527 -1.960693 2.594603
C -2.600831 -1.578488 1.830194
C -2.600831 -2.342897 0.593355
C -1.424527 -3.197532 0.593355
C -0.697531 -2.961317 1.830194
C 2.304933 0.748918 2.594603
C 3.031928 -0.251706 1.830194
C 3.481237 0.366714 0.593355
C 3.031928 1.749542 0.593355
C 2.304933 1.985757 1.830194
C 2.600831 1.578488 -1.830194
C 1.424527 1.960693 -2.594603
C 0.697531 2.961317 -1.830194
C 1.424527 3.197532 -0.593355
C 2.600831 2.342897 -0.593355
C -3.031928 0.251706 -1.830194
C -2.304933 -0.748918 -2.594603
C -2.304933 -1.985757 -1.830194
C -3.031928 -1.749542 -0.593355
C -3.481237 -0.366714 -0.593355
C -0.697531 2.961317 -1.830194
C -1.424527 1.960693 -2.594603
C -2.600831 1.578488 -1.830194
C -2.600831 2.342897 -0.593355
C -1.424527 3.197532 -0.593355
C 0.000000 -1.236839 -3.328030
C -1.176304 -0.382204 -3.328030
C -0.726996 1.000624 -3.328030
C 0.726996 1.000624 -3.328030
C 1.176304 -0.382204 -3.328030