ИСТИНА

This report announces the new release of the computer software WinXPRO and 3DPlot (A. Stash, V. Tsirelson, J. Appl. Cryst. 2002, 35, 371; 2014, 47, 2086) which provides the derivation of orbital-free bonding information from experimental electron density. The latter is described by parameters of the Hansen-Coppens multipole model derived from accurate X-ray diffraction experiment. The current version of software allows additionally calculating the following novel properties and descriptors: -The Pauli, von Weizsäcker and Kohn-Sham potentials; -2D and 3D gradient fields of different local functions and potentials; -Critical points in electronic density, electrostatic potential, Laplacian of the electron density, local electronic energies and different potentials; -Inner-crystal quantum pressure in electron continuum; -Indicator of quantum pressure focusing (IQPF); -Local temperature of electron continuum, Parr entropy and Fisher information of the Wigner phase coordinate-momentum distribution function; -Determination of zero-flux atomic basin in the field of electron density as well as in the any positively-defined scalar field; -Integration of any scalar field within atomic ZFS volumes as well as over the atomic surface; -Determination of zero-flux atomic surface in the electron density between pairs of atoms linked by the bond path followed by the integration of a chosen property over this surface.