running chemcraft 단국대학교 임석호. outline what is chemcraft? chemcraft basics
TRANSCRIPT
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Running Chemcraft
단국대학교임석호
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OUTLINE
What is Chemcraft?
Chemcraft basics
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What is Chemcraft
ChemCraft is a Windows-based graphical program for working with quantum chemistry computations.Rendering 3-dimensional pictures of molecules by atomic coordinates with the possibility to examine or modify any geometrical parameter in the molecule (distance, angle)Chemcraft support Gamess, Gaussian, ADF, NWChem, etc…
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Chemcraft basics
Open 을 이용하여 file 을 불러온다
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Chemcraft basics
Input file 의 경우 몇 개의 작업을 하는지 나온다 .
Output file 의 경우 어떤 작업을 하는지 나온다 .
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Chemcraft basics
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Chemcraft basics
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Chemcraft basics
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Chemcraft basics
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Chemcraft basics
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Chemcraft basics
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Chemcraft basics
xyz format
Xmol format
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Chemcraft basics
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Chemcraft basics
Isometry perspective
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Chemcraft basics
화면을 직전 / 직후로 되돌린다 .
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Chemcraft basics
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Chemcraft basics
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Chemcraft basics
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Chemcraft basics
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Chemcraft basics
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Chemcraft basics
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Chemcraft basics
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Chemcraft basics
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Chemcraft basics
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Chemcraft basics
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Chemcraft basics
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Chemcraft basics
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Chemcraft basics