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.

Cite UNEX as

Development activity

2023-03-23:  Fixed determination of free cores in FreeBSD
2023-03-22:  Implemented control parameters for the THERMO command
2023-03-10:  Started documentation of TRJXYZ=EDTERMS
2023-03-08:  TRJXYZ described in the manual
2023-03-04:  TRJXYZ=EDTERMS: print header for the table with comparison of new and old ED terms.
2023-03-03:  TRJXYZ=EDTERMS: implemented CmpOldTerms
2023-03-03:  TRJXYZ=EDTERMS: calculate and print progress
2023-02-28:  TRJXYZ=EDTERMS: reimplemented conv testing for symmetry groups
2023-02-25:  Increased timeout for memcheck
2023-02-24:  In TRJXYZ=EDTERMS reimplemented convergence points

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.