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适用平台Windows
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Chemcraft reads isotropic shielding values from Gaussian log files with NMR calculations (GIAO, CSGT). A simple utility for recounting them into chemical shifts and averaging within specified groups of atoms is provided.
When working with NMR computations (GIAO, CSGT), a simple utility for obtaining tables of chemical shifts, averaged within specified groups of atoms, can be used (see here).
this feature allows one to easily analyze complicated files, such as scan jobs, IRC jobs, or multi-job calculations. The graphical engine of Chemcraft does not require any hardware acceleration.
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 ).
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