Return to ChemRate Home Page

ChemRate Download

IMPORTANT! This is NOT distributive version of ChemRate and designed for current ChemRate users only. Authors are not responsible for any damages of your system causes by unauthorized using of this application.

Download ChemRate 1.17 Update 11/1/2000 1.5MB

ToDo: Download this new version of ChemRate executable file (ChemRate.exe) and replace the old one located, in default, in "C:\Program Files\NIST\ChemRate" directory. Please make sure to backup the previous version before replacing.

Notes on recent updates:

11/1/2000
New	Additional fitting parameter S in Troe expression
Update	No auto conversion from Name to Atomic composition and then to Mass in component's Property/General. Use buttons "->" and "Compute".
New	Add two more pressure units: kPa and mbar
New	Add energy unit for Zero Point Energy in component's Property/Frequencies
Update	Sort frequencies in component's Property/Frequencies
New	Compute and show IaIbIc in component's Property/Rotations. You need to rename the overall rotations as Ia and IbIc or IaIb to use this option.
Bug fixed	Incorrect energy unit conversion in Hindered Rotation Setting dialog
Bug fixed	Electronic partition function returns wrong value.
Update	Write default unit setting to profile instead of .chr file
Bug fixed	The database file name goes on second line if it's too long in DB Search dialog.
New	Add Exact match search option in DB Search dialog
New	Add custom font and scaling settings in Energy Diagram. Round energy values to 1-4 digits.
New	Add a default setting for Inertia in Preferences.
Bug fixed	Incorrect log A<->A conversion in Experimental Data
Bug fixed	No temperature dependence in experimental data graph.
Bug fixed	Internal window's vertical scroll is overlapped by parent's window scroll in Workspace.
Update	Hide initial values for linear fit.
03/03/2000
Bug fixed	Correction in transmission probability for Eckart barrier function.
03/02/2000
Bug fixed	Cannot fit data or draw the graph for high pressure rate constant of the backward reaction.
Bug fixed	Unable to delete the item from the Recycle Bin in Workspace tree window.
02/23/2000
Bug fixed	Incorrect evaluation of the imaginary frequency for tunneling effect.
01/22/2000
New	Option to build graph for multiselected components and reaction. Click on Components or Reactions folder, select items in list, click right mouse button for pop-up menu, and select "Graph..." (or use toolbar button)
Update	Drag-drop, copy-paste features for new components and reactions lists.
Update	New design for graph window.
01/19/2000
Problem solved	In some cases ChemRate application takes more and more memory and saved file also becomes big. Although I fixed this problem you might want to clean up your old files. You can use the new option in Edit/Delete All Results to erase unused vectors.
New	You can run ChemRate in batch mode. Run command string "chemrate.exe -all <filename.chr>". ChemRate automatically opens <filename.chr> file, makes all computation, saves results, and closes itself.
01/16/2000
Bug fixed	Problem if one tries to repeat the Copy command.
Bug fixed	Unable to change energy setting. Oops...
New	Same changes in design. Energy diagram is enhanced and embedded into Workspace. Replace Workspace pages with buttons by more informative ones. Check out new menu Insert. Use mouse right button click in different location to see popup menu. Try double-click on "Use as a buffer gas" in General tab.
12/23/1999
Bug fixed	Unable to set different degeneracy for each directions of reversible reaction.
Bug fixed	Unable to set active component as a buffer gas. Note: Although you can set active component as a buffer gas now, final solution is correct only if we can neglect the changing of its concentration.
Bug fixed	Multiple fixing and improving in fitting routines - Workspace/Data Fit window.
New	Two more data fits are available: Troe(Fc, k0) and Troe (Fc, k0, kinf)
New	Replace buttons in Workspace information window on tabs. This is more standard, robust, and flexible for future update.
New
Click Edit button (or doubleclick) for Decomposition, or Ratio rate constant in Workspace/Rate Constant window to set their custom values. This option could be used to apply fitting routines for experimental or arbitrary custom data.

Recommendations for future updates: