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Modeling of electrochemical machining with the use of a curvilinear electrode and a stepwise dependence of the current efficiency on the current density
Kotlyar L., Minazetdinov N.
of metals by a curvilinear cathode tool with allowance for a discontinuous function that describes
Synthesis, mass spectroscopy detection, and density functional theory investigations of the gd endohedral complexes of C82 fullerenols
Shakirova, Anastasia A., Tomilin, Felix N., Pomogaev, Vladimir A., Vnukova, Natalia G., Churilov, Grigory N., Kudryasheva, Nadezhda S., Tchaikovskaya, Olga N., Ovchinnikov, Sergey G., Avramov, Pavel V.
fullerenols were investigated using the density functional theory calculations. It was shown that the presence
Электронные и магнитные свойства перовскитов АВO3 (A – Ca, Ce, Y, Na; B – Ti, Nb, Fe, Mn, Ta; O)
Проскурова, П. А., Гвоздовский, Д. Ч., Баранова, М. С., Стемпицкий, В. Р., Praskurava, P. A., Hvazdouski, D. C., Baranava, M. S., Stempitsky, V. R.
современных первопринципных методов, основанных на теории функционала плотности (Density Functional Theory
Superconductivity in lithium under high pressure investigated with density functional and Eliashberg theory
Yao Y., Tse J.S., Tanaka K., Marsiglio F., Ma Y.
Superconductivity in lithium under high pressure investigated with density functional
Hardness of FeB4: Density functional theory investigation
Zhang M., Du Y., Gao L., Lu M., Lu C., Liu H.
Hardness of FeB4: Density functional theory investigation
Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories
Desmarais J.K., Erba A., Flament J.P.
functional theories
Exploring the role of density functional theory in the design of gold nanoparticles for targeted drug delivery: a systematic review
Novikov Alexander S., Obijiofor Obiekezie C.
Exploring the role of density functional theory in the design of gold nanoparticles for targeted
Calculations of 31P Magnetic Shielding Constants of Derivatives of Betaine and Phosphine Molecules Dissolved in Different Solvents by Using Supermolecular Model and Combined Methods of Quantum Chemistry and Molecular Mechanics
Aminova R., Baisupova E., Aganov A.
, toluene, formamide) have been calculated by using different variants of density functional theory
Electronic Properties of Bulk and Monolayer TMDs: Theoretical Study Within DFT Framework (GVJ-2e Method)
Gusakova, J., Wang, X., Shiau, L. L., Krivosheeva, A. V., Shaposhnikov, V. L., Borisenko, V. E., Gusakov, V. E., Tay, B. K., Кривошеева, А. В., Шапошников, В. Л., Борисенко, В. Е.
of potential applications. The band gaps of bulk and monolayer TMDs (MoS2, MoSe2, WS2, and WSe2) are calculated
Electronic properties of bulk and monolayer TMDs: theoretical study within DFT framework GVJ-2e method
Gusakova, J., Wang, X., Shiau, L. L., Krivosheeva, A. V., Shaposhnikov, V. L., Borisenko, V. E., Gusakov, V. E., Tay, B. K., Кривошеева, А. В., Шапошников, В. Л., Борисенко, В. Е.
of potential applications. The band gaps of bulk and monolayer TMDs (MoS2, MoSe2, WS2, and WSe2) are calculated

Страница 11 из 7507

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