English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

The calculation of the geometric parameters of the molecular structures of MII macroheterocyclic chelates with tetradentate macrocyclic ligands formed as a result of template reactions in MII–dithiooxamide–formaldehyde, MII–dithiooxamide–formaldehyde–ammonia and MII–dithiooxamide–propandiol-1,3 systems (M = Mn, Fe, Co, Ni, Cu, Zn), has been performed by using DFT method at the OPBE/TZVP level. The values of the bond lengths and bond angles in MN4 chelate nodes, bond angles in 5and 6-membered metalchelate rings in the MII chelates, have been presented. Also, the values of electric dipole moments and the standard thermodynamical parameters of formation (enthalpy, entropy and Gibbs free energy) of these chelates have been calculated.

makrogeterocikly

DFT OPBE/TZVP Сalculation of Molecular Structures of (5656) Macroheterocyclic Chelates of Double Charged 3d-Element Ions with 1,5,8,11-Tetraazacyclotetradecanetetrathione-2,3,9,10 and Its Dioxa- and Dithia Analogs