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许可形式单机版
原产地美国
介质下载
适用平台Windows
科学软件网销售软件达19年，有丰富的销售经验以及客户资源，提供的产品涵盖各个学科，包括经管，仿真，地球地理，生物化学，工程科学，排版及网络管理等。此外，我们还提供很多附加服务，如：现场培训、课程、解决方案、咨询服务等。
An output file can be opened via "File/Open" menu item. When a file has been read, it is divided into separate elements presented in the Data Explorer (the hierarchical list at the left): individual geometries, vibrational modes and other. By clicking on the nodes of the list one can view individual geometries, vibrations from the file. There are five view modes for these elements: Image (picture of the molecule), Abstract (some conspectus of the element), Source (the text of the output file), Coord (Cartesian coordinates of the atoms in the molecule), Image/Abs. (split mode with picture and abstract). Image mode is the primary. Buttons and checkboxes on the panel at the left, which appear when clicking on the items of the list, allow one to visualize charges on atoms and other atomic properties, occupations and bond energies (checkboxes "Show atomic properties", "Show bond properties"), dipole moment (checkbox "Show dipole moment"), graphs with IR, Raman or electronic spectra or potential energy surface (buttons "View spectrum", "View scan graph"), show the directions of vibrational modes or forces on the nuclei (checkboxes "Show displacement vectors" for vibrations, "Show forces" for individual geometries), etc.
The displayed image can be saved as a file ("File/Save image" menu item) or copied into the clipboard ("Edit/Copy page" menu item or button ).
Chemcraft包含一组便于**化计算的图形工具。它提供了方便的实用程序，有助于准备新的工作来计算和分析计算结果。其主要功能是对**化学包生成的输出文件的可视化。主要支持的软件包是Gamess（美国版本和PCGamess）和Gaussian94-09。
能量梯度可以以指针的形式显示（图2）；
不同的原子属性可以以标签的形式显示：Mulliken种群和电荷、自旋密度、价态；
键序（以标签的形式显示在结合物上）；
分子轨道可视为等值面或彩色平面；
振动模式可以动画或以指针的形式（位移矢量）显示；
科学软件网不定期举办各类公益培训和讲座，让您有更多机会免费学习和熟悉软件。
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