Search

Issue
Title
Authors
Vol 64, No 5 (2019)
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
Chachkov D.V., Mikhailov O.V.
PDF
(Eng)
Vol 64, No 5 (2019)
Theoretical Modeling of the Structure and Stability of Complexes of the Icosahedral Al13− Ion with Borane and Alane Molecules
Charkin O.P.
PDF
(Eng)
Vol 64, No 5 (2019)
Synthesis, X-ray Diffraction Studies, and Hydrogen Bonding Analysis of a New Phosphoramide Counterion in Solid State
Fallah N., Gholivand K., Yousefi M., Aberoomand azar P., Dusek M., Eigner V.
PDF
(Eng)
Vol 64, No 12 (2019)
Theoretical Approaches to the Conformational Preference of 2,2-Di-tert-Butyl-1,3-Dioxane, 2,2-Di-tert-Butyl-1,3-Dithian, and 2,2-Di-tert-Butyl-1,3-Diselenan
Morteza Nasrolahi , Ghiasi R., Shafiei F.
PDF
(Eng)
Vol 64, No 4 (2019)
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
Mikhailov O.V., Chachkov D.V.
PDF
(Eng)
Vol 64, No 8 (2019)
Computer Design of Two-Dimensional Monolayers with Octahedral 1,6-Carborane Units
Steglenko D.V., Zaitsev S.A., Minyaev R.M., Minkin V.I.
PDF
(Eng)
Vol 64, No 4 (2019)
Theoretical Modeling of the Structure of Complexes of the Dodecaalane Anion Al12H122− with Borane, Alane, Diborane, and Dialane Molecules
Charkin O.P.
PDF
(Eng)
Vol 64, No 6 (2019)
Computer Modeling of Extended PnX3n + 2 Chains (X = F, Cl)
Zaitsev S.A., Steglenko D.V., Minyaev R.M., Minkin V.I.
PDF
(Eng)
Vol 64, No 1 (2019)
A Density-Functional Theory of CO2 Interaction with a Hafnium-Titanium Nanocluster
Ghasemi A.S., Ashrafi F.
PDF
(Eng)
Vol 64, No 6 (2019)
Optical and Electronic Properties of Al-Doped Mg12O12 Nanocluster: A Theoretical Study
Lemeski E.T., Javan M.B., Soltani A., Azmoodeh Z.
PDF
(Eng)
Vol 63, No 12 (2018)
Ethene Protonation Over Silica-Grafted Metal (Cr, Mo, and W) Oxide Catalysts: A Comparative Nanocluster Modeling Study
Ghashghaee M., Ghambarian M.
PDF
(Eng)
Vol 64, No 6 (2019)
Soluble Cytotoxic Ruthenium(II) Complexes with 2-Hydrazinopyridine
Soliman A.A., Attaby F.A., Alajrawy O.I., Majeed S.R., Sahin C., Varlikli C.
PDF
(Eng)
1 - 12 of 12 Items

Search tips:

  • Search terms are case-insensitive
  • Common words are ignored
  • By default only articles containing all terms in the query are returned (i.e., AND is implied)
  • Combine multiple words with OR to find articles containing either term; e.g., education OR research
  • Use parentheses to create more complex queries; e.g., archive ((journal OR conference) NOT theses)
  • Search for an exact phrase by putting it in quotes; e.g., "open access publishing"
  • Exclude a word by prefixing it with - or NOT; e.g. online -politics or online NOT politics
  • Use * in a term as a wildcard to match any sequence of characters; e.g., soci* morality would match documents containing "sociological" or "societal"