| Issue |
Section |
Title |
File |
| Vol 61, No 5 (2016) |
Theoretical Inorganic Chemistry |
Molecular structures of (5656)macrotetracyclic chelates in M(II) ion–ethanedithioamide–methanimine–hydrogen cyanide quaternary systems by DFT calculations |
|
| Vol 61, No 9 (2016) |
Theoretical Inorganic Chemistry |
Models of molecular structures of macrocyclic metal chelates in the ternary 4d M(II) ion–ethanedithioamide–ethanedial systems according to quantum-chemical DFT calculations |
|
| Vol 61, No 2 (2016) |
Theoretical Inorganic Chemistry |
Quantum-chemical modeling of the molecular structures of (555)macrotricyclic chelates in M(II) ion–thiooxamide–glyoxal ternary systems (M = Mn, Fe, Co, Ni, Cu, Zn) |
|
| Vol 62, No 3 (2017) |
Theoretical Inorganic Chemistry |
Models of molecular structures of aluminum–iron clusters AlFe3, Al2Fe3, and Al2Fe4 according to quantum-chemical DFT calculations |
|
| Vol 62, No 4 (2017) |
Theoretical Inorganic Chemistry |
Molecular structures of macrotricyclic 4d M(II) chelates with the (NNNN)-donor ligand 2,7-dithio-3,6-diazaoctadiene-3,5-dithioamide-1,8 according to quantum-chemical density functional theory calculations |
|
| Vol 62, No 7 (2017) |
Theoretical Inorganic Chemistry |
Modeling of molecular structures of (464)macrotricyclic chelates in ternary systems M(II) ion–mercaptomethanethioamide–formaldehyde |
|
| Vol 62, No 7 (2017) |
Theoretical Inorganic Chemistry |
On the possibility of the existence of molecular nitrogen allotropes |
|
| Vol 62, No 9 (2017) |
Theoretical Inorganic Chemistry |
DFT quantum-chemical calculations of molecular structures for template heteroligand (5757)macrocyclic M(II) chelates of 3d elements with a 16-membered macrocyclic ligand and Br– ions |
|
| Vol 62, No 10 (2017) |
Theoretical Inorganic Chemistry |
Molecular structures of (575)macrotricyclic 3d-metal chelates in M(II)–N-methylthiocarbohydrazide–hexanedione-2,5 according to density functional theory calculations |
|
| Vol 62, No 12 (2017) |
Theoretical Inorganic Chemistry |
Molecular structures of (454)macrotricyclic chelates in the M(II) ion–thiosulfate anion–ethylenediamine systems according to quantum-chemical DFT calculations |
|
| Vol 63, No 6 (2018) |
Theoretical Inorganic Chemistry |
Models of Molecular Structures of Al2Cr3 and Al2Mo3 Metal Clusters according to Density Functional Theory Calculations |
|
| Vol 63, No 7 (2018) |
Theoretical Inorganic Chemistry |
Structural Changes in the Macrocycles of Tetrathioand Dithiodioxo-Substituted 1,8-Dioxa-3,6,10,13-tetraazacyclotetradecane Caused by Complexation with 3d M(II) Ions according to Quantum-Chemical DFT Calculation |
|
| Vol 63, No 8 (2018) |
Theoretical Inorganic Chemistry |
Models of Molecular Structures of “Template” (5676)Macrotetracyclic 3d M(II) Chelates with a 16-Membered Macrocyclic Ligand according to Density Functional Theory Data |
|
| Vol 63, No 9 (2018) |
Theoretical Inorganic Chemistry |
Molecular Structures of (5454)Macrotetracyclic 3d M(II) Chelates Forming in Ternary Systems M(II)–1,2-Ethandiamine–Trioxosulfidosulfate(VI) Anion According to DFT Data |
|
| Vol 64, No 1 (2019) |
Theoretical Inorganic Chemistry |
DFT Quantum Chemical Calculation of the Molecular Structures of the Metal Clusters Al2Cu3 and Al2Ag3 |
|
| Vol 64, No 2 (2019) |
Theoretical Inorganic Chemistry |
DFT Quantum-Chemical Calculation of the Molecular Structures of (5665)Macrotetracyclic Chelates in the M(II)—4,5-Diaminoacridone—2-[(2-Formylphenyl)amino]benzenecarbaldehyde Systems (M = Mn, Fe, Co, Ni, Cu, Zn) |
|
| Vol 64, No 4 (2019) |
Theoretical Inorganic Chemistry |
Structural Changes in Macrocycles of Tetrathio-Substituted 1,8-Dioxa-, 1,8-Dithia-3,6,10,13-Tetraazacyclotetradecane and 1,3,5,8,10,12-Hexaazacyclotetradecane upon the Complexation with 3d M(II) Ions according to Density Functional Theory Calculations |
|
| Vol 64, No 5 (2019) |
Theoretical Inorganic Chemistry |
Quantum-Chemical DFT Calculation of the Molecular Structures of “Template” Heteroligand (6666)Macrotetracyclic 3d M(II) Chelates with a 16-Membered Macrocyclic Ligand and Cl− Ions |
|
