UNEXTitle

UNEX is a programming environment for investigation of molecular structure. We develop new and existing experimental methods and combine them to increase accuracy and precision of results. At the current stage the full support of gas electron diffraction (GED) investigations 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

Recent activity

UNEX 1.6

2022-05-19:  Manual updated
2022-04-12:  Implemented better checking of input Cartesian coords of atoms
2022-03-21:  Adjusted a time-consuming test
2022-03-18:  Added clearer printing commands PRINT=ZMATRIX and PRINT=ZMPARAMS
2022-03-17:  Implemented control of power spectral density for noise in background lines
2022-03-11:  Implemented Born1Tab1C1 method for scattering factors
2022-03-10:  Implemented method Born1Tab1 for scattering factors
2022-02-20:  Manual updated
2022-02-14:  Implemented Born1Pot1C1 in addition to Born1Pot1
2022-02-13:  Code cleanups

UNEX 2.0

2022-05-23:  UML: updated SciMark
2022-02-09:  Updated cr year 2021 -> 2022
2022-02-06:  Implemented Physics::ED::u2lam and lam2u functions
2022-01-16:  Fixed detection of macOS version
2022-01-15:  UKL: detect macOS Big Sur and Monterey
2022-01-13:  UKL: detect Windows 11 and Server 2022
2021-12-12:  Fixed crash with calling functions on non-function objects
2021-08-15:  Cleanups in scripts
2021-05-22:  Improved update scripts
2021-05-13:  Improved testing script
UNEX@SomoniPeak
UNEX and its main developer Yury Vishnevskiy (on the right) at the top of Ismoil Somoni Peak (7495 m) on Aug 9, 2017.