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Vol 64, No 2 (2019)
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)
Mikhailov O.V., Chachkov D.V.
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(Eng)
Vol 64, No 10 (2019)
Electronic Structure and Optical Absorption Spectrum of Icosahedral Golden Fullerene Au32
Mironov G.I.
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(Eng)
Vol 64, No 1 (2019)
Differentiation of the Multicomponent System Na,K,Sr∥Cl,NO3: Phase Diagram and Physicochemical Properties of Salt Mixtures in the System NaNO3—NaCl—KNO3—Sr(NO3)2
Rasulov A.I., Akhmedova P.A., Gamataeva B.Y., Gasanaliev A.M., Mamedova A.K.
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(Eng)
Vol 64, No 10 (2019)
Exploring the Optoelectronic and Charge Transfer Nature of Ferrocene Derivatives: A First-Principles Approach
Ahmad Irfan
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(Eng)
Vol 63, No 12 (2018)
Theoretical Study of Isomers of Doped Clusters M2Al42 with Light Element Dopants M inside and on the Surface of the Aluminum Cage
Charkin O.P., Klimenko N.M.
PDF
(Eng)
Vol 64, No 6 (2019)
Theoretical Study of the Structure and Stability of Layerwise Hydrogenated Aluminum Clusters Al44Hn and Al89Hm
Charkin O.P., Klimenko N.M.
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(Eng)
Vol 61, No 3 (2016)
Solvent and substitution effects on the structure and properties of a half-sandwich complex of vanadium with a terminal borylene ligand: Theoretical study
Ghiasi R., Pasdar H., Fereidoni S.
PDF
(Eng)
Vol 64, No 5 (2019)
Electron Density Redistribution in the System GeCl4←O=C[N(CH3)2]2 upon Coordination Bond Formation
Feshin V.P., Feshina E.V.
PDF
(Eng)
Vol 61, No 1 (2016)
Silicon- and carbon-based anode materials: Quantum-chemical modeling
Zyubin A.S., Zyubina T.S., Dobrovol’skii Y.A., Volokhov V.M.
PDF
(Eng)
Vol 64, No 4 (2019)
Mechanistic, Energetic and Structural Studies of γ-Fe2O3 Nanoparticles Functionalized with Drug Artemisinin
Naderi S., Morsali A., Bozorgmehr M.R., Beyramabadi S.A.
PDF
(Eng)
Vol 64, No 3 (2019)
GaxO (x = 2–4) Contain Novel Linear Dicoordinate, T-shape Tricoordinate and Planar Tetracoordinate Oxygen
Zhou K., Roy S.K., Zhao C.B.
PDF
(Eng)
Vol 64, No 3 (2019)
Fine-Grained Tungstates SrWO4 and NaNd(WO4)2 with the Scheelite Structure Prepared by Spark Plasma Sintering
Potanina E.A., Orlova A.I., Nokhrin A.V., Mikhailov D.A., Boldin M.S., Sakharov N.V., Belkin O.A., Lantsev E.A., Tokarev M.G., Chuvil’deev V.N.
PDF
(Eng)
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