About Reaction plus Pro


Transition states and reaction paths can be obtained by specifying the reactant and product geometries.
　≫ Optimal path can be obtained very quickly if you have some speculation.

Complicated paths can be also available by specifying the multiple intermediate geometries.strong>
　≫ Visualization of the reaction using GaussView, VMD, Avogadro, and so on.

Examples

Features




Features


Product Name Reaction plus Pro ver. 1.0
Number of addressable intermediate conformation Unlimited
Automatic correlation for coordinate axis of initial structure ○
Optimized calculation based on calculation result ○
Quantum chemical calculation technique All calculation technique of Opt keyword of Gaussian
Basis sets All basis sets of Gaussian
Input by GUI Possible by using GaussView *1
Animation display Possible by using GaussView, VMD *1
Maximum parallel cpu cores The number of core/nodes *2
Job scheduler LSF, Lava, Sun Grid Engine, Open Grid Scheduler, PBS Pro, Torque
Bundled item Software, manual, tutorial
Operating environment *3 OS: RedHat Enterprise Linux 6.x or CentOS 6.x
Software: Gaussian09 Rev. C01~ *4
Price ASK

　　*1 Checked by GaussView 5.0.8 for Windows, VMD 1.9.1 for Windows.
　　*2 No parallel computing between nodes support.
　　*3 Not guaranteed to all operating environment.
　　*4 To operate this software, Gaussian09 Rev. C01~ (Intel EMT64T Linux ver.) is needed.