| Шығарылым |
Атауы |
Файл |
| Том 62, № 8 (2017) |
Structural and electronic properties of XY-doped (AlN, AlP, GaN, GaP) C58 fullerenes: a DFT study |
(Eng)
|
|
Baei M., Soltani A., Rajabzadeh H., Tazikeh-Lemeski E.
|
| Том 62, № 7 (2017) |
Effect of 3d-metal dopants on the electronic properties of hexagonal titanium dioxide nanotubes |
(Eng)
|
|
D’yachkov E., Makaev D., Khoroshavin L., D’yachkov P.
|
| Том 62, № 7 (2017) |
Structural phase transition in quasi-one-dimensional H-bonded ferroelectric PbHPO4 (LHP) crystal: Quantum-chemical analysis |
(Eng)
|
|
Dolin S., Mikhailova T., Breslavskaya N.
|
| Том 62, № 7 (2017) |
Structure of the 3-ClC6H4COCl · SnCl4 complex according to 35Сl NQR data and ab initio calculations |
(Eng)
|
|
Feshin V., Feshina E.
|
| Том 62, № 7 (2017) |
Modeling of molecular structures of (464)macrotricyclic chelates in ternary systems M(II) ion–mercaptomethanethioamide–formaldehyde |
(Eng)
|
|
Mikhailov O., Chachkov D.
|
| Том 62, № 7 (2017) |
On the possibility of the existence of molecular nitrogen allotropes |
(Eng)
|
|
Mikhailov O., Chachkov D.
|
| Том 62, № 6 (2017) |
Boron, carbon, and aluminum supertetrahedral graphane analogues |
(Eng)
|
|
Steglenko D., Zaitsev S., Getmanskii I., Koval V., Minyaev R., Minkin V.
|
| Том 62, № 6 (2017) |
Electronic properties of achiral and chiral gold nanotubes |
(Eng)
|
|
Khoroshavin L., Krasnov D., D’yackov P., Kol’tsova E.
|
| Том 62, № 6 (2017) |
Tetramer structure of a lithium thiocyanate complex in triethylamine |
(Eng)
|
|
Mikhailov G.
|
| Том 62, № 6 (2017) |
Topology of the liquidus hypersurface of the phase diagrams of quaternary systems |
(Eng)
|
|
Kosyakov V., Shestakov V.
|
| Том 62, № 5 (2017) |
Theoretical study of the structure and stability of oxovanadate complexes with MO4n− tetraoxo anions in the inner and outer spheres of the V20O50 cluster |
(Eng)
|
|
Charkin O., Klimenko N.
|
| Том 62, № 4 (2017) |
Formation and structure specifics of the SnCl4 complex with pyridine-3-carboxylic acid chloride by ab initio calculations |
(Eng)
|
|
Feshin V., Feshina E.
|
| Том 62, № 4 (2017) |
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 |
(Eng)
|
|
Mikhailov O., Chachkov D.
|
| Том 62, № 4 (2017) |
Coordination of ions in aqueous solutions of samarium chloride from X-ray diffraction data |
(Eng)
|
|
Smirnov P., Grechin O.
|
| Том 62, № 4 (2017) |
Structural-dynamic properties of infinitely dilute ionic liquid–nonpolar compound systems |
(Eng)
|
|
Atamas’ N.
|
| Том 62, № 3 (2017) |
Effect of sodium borohydride dihydrate aggregation on the barrier to elimination of hydrogen molecule: Quantum-chemical modeling |
(Eng)
|
|
Zyubin A., Zyubina T., Kravchenko O., Solov’ev M., Tsvetkov M., Dobrovol’skii Y.
|
| Том 62, № 3 (2017) |
Topology of subsolidus sections of phase diagrams of quaternary reciprocal systems without solid solutions |
(Eng)
|
|
Kosyakov V., Shestakov V., Grachev E.
|
| Том 62, № 3 (2017) |
A density-functional theory of hydrogen adsorption on indium nitride nanotubes |
(Eng)
|
|
Baei M., Lemeski E., Soltani A.
|
| Том 62, № 3 (2017) |
Models of molecular structures of aluminum–iron clusters AlFe3, Al2Fe3, and Al2Fe4 according to quantum-chemical DFT calculations |
(Eng)
|
|
Mikhailov O., Chachkov D.
|
| Том 62, № 3 (2017) |
The universal relationship between the energy and length of a covalent bond derived from the theory of generalized charges |
(Eng)
|
|
Dolgonosov A.
|
| Том 62, № 1 (2017) |
Structure and donor–acceptor properties of Au12M (M = Hf, Ta, W, Re, and Os) intermetallic clusters |
(Eng)
|
|
Yarzhemsky V., Kazaryan M., Dyakov Y., Izotova V., Kosheleva O.
|
| Том 61, № 12 (2016) |
Migration of lithium ions in a nonaqueous Nafion-based polymeric electrolyte: Quantum-chemical modeling |
(Eng)
|
|
Zyubina T., Zyubin A., Dobrovol’skii Y., Volokhov V.
|
| Том 61, № 12 (2016) |
Quantum-chemical simulation of the elementary step of the oxidation reactions of styrene and its derivatives involving 1О2 (1Δg) |
(Eng)
|
|
Breslavskaya N., Dolin S., Markov A., Mikhailova T., Moiseeva N., Gekhman A.
|
| Том 61, № 12 (2016) |
Theoretical modeling of dissociative addition of an H2 molecule to doped aluminum clusters FeAl12 and CoAl12 |
(Eng)
|
|
Mikhailin A., Charkin O., Klimenko N.
|
| Том 61, № 11 (2016) |
Quantum-chemical modeling of lithiation of a silicon–silicon carbide composite |
(Eng)
|
|
Zyubin A., Zyubina T., Dobrovol’skii Y., Volokhov V.
|
| Нәтижелер 128 - 76/100 |
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