Search Results for "open-shell"

OpenFlowChem is a platform for quick automation of laboratory processes and experiments. The platform is described in a publication DOI:10.1039/C8RE00046H in details. Briefly, you have self-sufficient Device Monitors – programming units responsible for communication with a single physical unit – and a System Module – the high-level programs that send commands to the Device Monitors. In the files presented, you can download several Device Monitor for hardware as well as ample examples of...

...This is achieved by monitoring a TTL signal via the computer LTP1 port, whose signal is transmitted via RS232 to the laser unit, also used to control basic laser parameters, like pulse divider (laser frequency) and Q-Switch. The Shutter modulation feature allows the user to use the TTL signal to open the laser shutter on demand, controlling the length of the laser pulsed as desired. This method yields reproducible full power laser pulses. The original motivation was to interface mass spectrometer data systems to diverse laser systems. Developed by: Jair Menegon, Paulo Moreira and Thiago Correra - University of São Paulo - Brazil.

Automated Quantitative Spectroscopic Analysis Combining Background Subtraction, Cosmic-Ray Removal and Peak Fitting programmed in LabVIEW. Current version 1.1.0. Binaries and source available.

MOPlot - visualization program for fast Molecular Orbitals Plotting (and other stuff - please, read the full description) from the outputs of the Gaussian 09-94, Molcas, Gamess/US, Firefly quantum chemical calculation packages.