Главная
Авторизация
Фамилия
Пароль
 

Базы данных


Труды сотрудников ИФ СО РАН - результаты поиска

Вид поиска

Область поиска
в найденном
 Найдено в других БД:Каталог книг и брошюр библиотеки ИФ СО РАН (7)Каталог журналов библиотеки ИФ СО РАН (1)
Формат представления найденных документов:
полныйинформационный краткий
Отсортировать найденные документы по:
авторузаглавиюгоду изданиятипу документа
Поисковый запрос: (<.>K=calculations<.>)
Общее количество найденных документов : 123
Показаны документы с 1 по 20
1.

Elucidating elusive quaternary selenide EuCeCuSe3: Synthesis, crystal structure, properties and theoretical studies/M. V. Grigoriev, A. V. Ruseikina, M. S. Molokeev [et al.] // Journal of Rare Earths, 2024. т.Vol. 42,N Is. 1.-С.163-171
2.

Zhandun V. S. Magnetic structure and pressure-induced spin-crossover in Me3B2O6 (Me = Mn, Fe, Co, Ni) kotoites: Representation analysis and DFT calculations/V. S. Zhandun, O. N. Draganyuk, N. G. Zamkova // Computational Materials Science, 2024. т.Vol. 236.- Ст.112859
3.

Orthogonal magnetic structures of Fe4O5: representation analysis and DFT calculations/V. Zhandun, N. Kazak, I. Kupenko [et al.] // Dalton Transactions, 2024. т.Vol. 53,N Is. 5.-С.2242-2251
4.

Zhandun V. S. Magnetic structure of Fe5O6: Group-theoretical analysis and DFT calculations/V. S. Zhandun, N. V. Kazak, D. M. Vasiukov // JETP Letters, 2024. т.Vol. 119,N Is. 4.-С.294-298
5.

Sofronova S. N. Magnetic ordering and the role of superexchange Ni–O–B–O–Ni upon the formation of magnetic order in ludwigite Ni2MnBO5 from first-principal calculations/S. Sofronova, A. Chernyshev // Computational Condensed Matter, 2024. т.Vol. 40.- Ст.e00918
6.

First-principles calculations to investigate optical, phonon and electronic properties of quaternary sulfides SrRECuS3 (RE = La, Nd, Tm)/V. A. Chernyshev, A. V. Ruseikina, M. V. Grigoriev [et al.] // Inorganic Chemistry Communications, 2024. т.Vol. 165.- Ст.112449
7.

Zhandun V. S. The arising of ferromagnetism in Al-doped Mn2(Ga1−xAlx)C MAX phases/V. S. Zhandun, N. G. Zamkova, O. N. Draganyuk // Journal of Magnetism and Magnetic Materials, 2024. т.Vol. 601.- Ст.172193
8.

Magnetic, optical, and thermic properties of SrLnCuSe3 (Ln = Dy, Ho, Er, Tm) compounds/N. N. Habibullayev, N. G. Naumov, A. N. Lavrov [et al.] // Magnetochemistry, 2023. т.Vol. 9,N Is. 8.- Ст.194
9.

Oreshonkov A. S. Phonon dynamics in MoSi2N4: insights from DFT calculations/A. S. Oreshonkov, E. V. Sukhanova, Z. I. Popov // Physical Chemistry Chemical Physics, 2023. т.Vol. 25,N Is. 43.-С.29831-29841
10.

Single crystals of EuScCuSe3: Synthesis, experimental and DFT investigations/M. V. Grigoriev, A. V. Ruseikina, V. A. Chernyshev [et al.] // Materials, 2023. т.Vol. 16,N Is. 4.- Ст.1555
11.

Structure and vibrational spectroscopy of C82 fullerenol valent isomers: An experimental and theoretical joint study/F. N. Tomilin, P. V. Artyushenko, I. A. Shchugoreva [et al.] // Molecules, 2023. т.Vol. 28,N Is. 4.- Ст.1569
12.

Possibilities of controlling the quantum states of hole qubits in an ultrathin germanium layer using a magnetic substrate: Results from ab initio calculations/A. N. Chibisov, M. A. Chibisova, A. V. Prokhorenko [et al.] // Nanomaterials, 2023. т.Vol. 13,N Is. 23.- Ст.3070
13.

Determination of the pore direction in a crystalline metal-organic framework by Raman spectroscopy and periodic calculations based on the electron density functional theory/N. V. Slyusarenko, I. D. Yushina, E. A. Slyusareva [et al.] // Optoelectronics, Instrumentation and Data Processing, 2023. т.Vol. 59,N Is. 6.-С.693-702
14.

Zhandun V. S. Orthogonal magnetic structures of Fe5O6: representation analysis and DFT calculations/V. S. Zhandun, N. V. Kazak // Book of abstacts of Samarkand International Symposium on Magnetism (SISM-2023), 2023.- Ст.2PO-L1-18.-С.62
15.

Zhandun V. S. Magnetic and electronic properties of M3B2O6 (Me=Mn, Fe, Co, Ni) kotoites: representation analysis and DFT calculations/V. S. Zhandun, O. N. Draganyuk // V International Baltic Conference on Magnetism. IBCM, 2023.-С.149
16.

Zhandun V. S. Orthogonal magnetic structures of Fe5O6: representation analysis and DFT calculations/V. S. Zhandun, N. V. Kazak // V International Baltic Conference on Magnetism. IBCM, 2023.-С.172
17.

Zhandun V. S. The spin-state transition in ACo2O4 spinels (A = Be, Mg, Ca, Cd, Zn)/V. S. Zhandun, O. N. Draganyuk // Journal of Magnetism and Magnetic Materials, 2022. т.Vol. 552.- Ст.169206
18.

XMCD and ab initio study of interface-engineered ultrathin Ru/Co/W/Ru films with perpendicular magnetic anisotropy and strong Dzyaloshinskii-Moriya interaction/A. S. Samardak, A. V. Ognev, A. G. Kolesnikov [et al.] // Physical Chemistry Chemical Physics, 2022. т.Vol. 24,N Is. 14.-С.8225-8232
19.

Quaternary selenides EuLnCuSe3: Synthesis, structures, properties and in silico studies/M. V. Grigoriev, L. A. Solovyov, A. V. Ruseikina [et al.] // International Journal of Molecular Sciences, 2022. т.Vol. 23,N Is. 3.- Ст.1503
20.

Growth of a novel K0.4Rb0.6Pb2Cl5 crystal and theoretical and experimental studies of its electronic and optical properties/O. Y. Khyzhun, T. V. Vu, A. A. Lavrentyev [et al.] // Optical Materials, 2022. т.Vol. 124.- Ст.112050
 

Другие библиотеки

© Международная Ассоциация пользователей и разработчиков электронных библиотек и новых информационных технологий
(Ассоциация ЭБНИТ)