PES Scan Data Analyzer (Q-Chem .out Parser)v5.0-release 1
3D 交互式浏览
高分辨率导出
多语言支持
侧边导航
Export filename:
...
Run Log
Potential Energy Scan Curve
Key Information
Data Points:
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Local Maxima:
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Selected
x value:
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Selected Energy:
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Method:
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Basis Set:
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Input File
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3D Structure Preview (Interactive)
Coordinate Data
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