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Tag: MOPAC

Conformational search and MOPAC calculation – Molecular Operating Environments (MOE)

https://youtu.be/W9Wjj89cTcQ?si=1s-GEf6YeIEv0oZc MOE 프로그램을 이용하여 작은 분자의 conformational search를 통해서 존재할 수 있는 다양한 conformer들을 생성하는 과정과 semi-empirical method로 계산되는 MOPAC계산 결과를 통한 시연으로 보여주고 있습니다.

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  • Dept. of Chemistry, Hannam University
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