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 the manual and tutorial for details.
April 14, 2025
A new major version 2.0 of UNEX is released with lots of improvements! Note, in this update the input and output formats have been significantly changed. For consistency, many commands and keywords have also been harmonized and renamed. All details are in the manual. Also in this version appeared a tutorial, which can be useful as a starting point in UNEX mastering.
Development activity
2026-02-06: Fixed atom permutations in ED-MD 2026-02-06: Better printout from LSQFUNC:OPTALPHA 2026-02-05: More general implementation of full permutations on ED-MD 2026-02-05: Added more tests for ED-MD 2026-02-03: Implemented full permutation equiv. atom groups in ED-MD 2026-01-30: Implemented groups of equivalent atoms 2026-01-29: Prepared infrastructure for permutations in ED-MD 2026-01-29: Fixed convergence testing of symmetry groups in MD-ED 2026-01-29: Cleanups in printing of ED terms from MD 2026-01-29: Removed outdated builds
