QCxMS

QCxMS is a quantum chemical based program to calculate electron ionization (EI) and collision induced dissociation (CID) mass spectra using Born-Oppenheimer Molecular Dynamics (BO-MD). It is the successor of the QCEIMS program, in which the EI part is exchanged to x to account for the greater general applicibility of the program.

homepage: https://xtb-docs.readthedocs.io/en/latest/qcxms_doc/qcxms.html

version	toolchain
5.0.3	system

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