Stereoisomer | Reaction Stereochemistry | Tautomer | ||||
Free | Commercial | Free | Commercial | Free | Commercial | |
conformational isomer | only one | one or more | only one | one or more | ||
configurational isomer | only one | one or more | only one | one or more | ||
reaction set | only one | one or more | ||||
user enter Lewis Formula | no | yes | no | yes | no | yes |
Input Files
A zipped collection of software input files of the following exercises, on Lewis formula of reactants.
Alkene Addition (1)
A word file on the exercise.
Alkene hydroboration
A word file on the exercise.
alkene+carben reactions
A word file on the exercise.
Alkene Epoxidation
A word file on the exercise.
Baeyer-Villiger reaction
A word file on the exercise.
Cope rearrangement
A word file on the exercise.
Cram rule-1
A word file on the exercise.
cyclohexene addition
A word file on the exercise.
Diels-Alder reactions (1)
A word file on the exercise.
ProcessEngineer (Steady State)
It is an open-source petro-chemical process simulation software (https://www.gitlink.org.cn/yuming086/petrochemical-process-simulation-software). With the help of Microsoft Visual Studio, its C++ source codes can be read, modified, and re-compiled.
Compressor Dynamics Simulation
It was developed on the base of ProcessEngineer, may be useful for centrifugal compressor surge analysis as well as the start-up and shutdown simulations of centrifugal compressors.
Samples
Notes on sample case
Start-up and shutdown simulation of refrigeration cycle (1).
Notes on sample case
Start-up and shutdown simulation of refrigeration cycle (2).
Notes on sample case
Start-up and shut-down simulation of centrifugal compressors
Notes on Sample case
Air conditioner dynamic simulation.
A minimal example for Debug
A zipped MFC source codes for debug