UNEX is a program environment for investigation of molecular structure. It has been created by the Vishnevskiy Group. In this project we develop new and existing experimental methods and combine them to increase accuracy and precision of results. At the current stage the full support for the gas electron diffraction (GED) method is provided, from the calibration of instruments and data reduction to the refinement of molecular structure. Additionally, rotational constants can be used solely or in combination with GED data for determination of molecular geometry. See manual for more details.
Development activity
2023-09-17: Code cleanups 2023-09-14: Code cleanups 2023-09-07: Code refactored 2023-09-05: Fixed conversion of cubic force fields 2023-09-04: Implemented printing of cubic force constants in normal coordinates 2023-09-03: Implemented reading of F3n from Orca vpt2 files 2023-09-03: Refactored and documented reading of normal modes from Cfour FJOBARC 2023-09-03: Documented conversion of cubic force fields 2023-09-03: Code refactoring 2023-09-03: Code refactoring
Figure 1. UNEX and its main developer Yury Vishnevskiy (on the right) at the top of Ismoil Somoni Peak (7495 m) on Aug 9, 2017.