UNEXTitle

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.

Cite UNEX as


or download the citation in BibTeX and RIS formats.

Development activity

2025-06-13:  Improved MOLXYZ:CALC for linear case
2025-06-13:  MOLXYZ:CALC implemented the case of linear molecules
2025-06-12:  Improved MOLXYZ:CALC
2025-06-11:  Added infos for development
2025-06-11:  Code cleanup and added tests
2025-06-11:  Adjusted naming for parameters in ED std processing output
2025-06-11:  UIntPlot: fixed recognition of rbgr data type
2025-06-10:  Implemented fitting of determined OD calibration to line
2025-06-09:  Started implementation of CALC mode for MOLXYZ
2025-05-04:  Improved molecular symmetry determination

UNEX@SomoniPeak
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.