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Zhuravlev, Yu. N. (2024) Ab Initio Studies of the Structures, Electronic and Vibrational Properties of Double Phosphates MCdPO4 (M: Li, Na, Rb, Cs) Journal of Structural Chemistry, 65 (4) 817-830 doi:10.1134/s0022476624040176

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Reference TypeJournal (article/letter/editorial)
TitleAb Initio Studies of the Structures, Electronic and Vibrational Properties of Double Phosphates MCdPO4 (M: Li, Na, Rb, Cs)
JournalJournal of Structural Chemistry
AuthorsZhuravlev, Yu. N.Author
Year2024 (April)Volume65
Issue4
PublisherPleiades Publishing Ltd
DOIdoi:10.1134/s0022476624040176Search in ResearchGate
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Mindat Ref. ID17419241Long-form Identifiermindat:1:5:17419241:3
GUID0
Full ReferenceZhuravlev, Yu. N. (2024) Ab Initio Studies of the Structures, Electronic and Vibrational Properties of Double Phosphates MCdPO4 (M: Li, Na, Rb, Cs) Journal of Structural Chemistry, 65 (4) 817-830 doi:10.1134/s0022476624040176
Plain TextZhuravlev, Yu. N. (2024) Ab Initio Studies of the Structures, Electronic and Vibrational Properties of Double Phosphates MCdPO4 (M: Li, Na, Rb, Cs) Journal of Structural Chemistry, 65 (4) 817-830 doi:10.1134/s0022476624040176
In(2024, April) Journal of Structural Chemistry Vol. 65 (4) Springer Science and Business Media LLC

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Zhuravlev, Yu. N., Korabel`nikov, D. V. (2017) Ab initio study of the structure and electronic properties of magnesium and calcium nitrates and their crystal hydrates. Journal of Structural Chemistry, 58 (4) 641-649 doi:10.1134/s0022476617040011
Fedorov, I. A., Zhuravlev, Yu. N., Kiseleva, E. A. (2016) Ab initio study of the pressure effect on the structural and electronic properties of crystalline hydrogen azide. Journal of Structural Chemistry, 57 (1) 1-7 doi:10.1134/s0022476616010017
Gordienko, A. B., Zhuravlev, Yu. N. (2010) Ab initio calculations of structural, elastic, and electronic properties of silver nitrides. Journal of Structural Chemistry, 51 (3). 401-408 doi:10.1007/s10947-010-0061-8
Priyanga, G. Sudha, Meenaatci, A.T. Asvini, Palanichamy, R. Rajeswara, Iyakutti, K. (2014) Structural, electronic and elastic properties of alkali hydrides (MH: M=Li, Na, K, Rb, Cs): Ab initio study. Computational Materials Science, 84. 206-216 doi:10.1016/j.commatsci.2013.12.003
Stulov, Yu. V., Antipov, S. V., Kuznetsov, S. A. (2024) Structure of Molten MX–NdX3 (M = Na, K, Rb, Cs; X = F, Cl) Salts: Ab Initio Study. Russian Metallurgy (Metally), 2024 (1). doi:10.1134/s0036029524701283
Augustovičová, L., Soldán, P. (2012) Ab initio properties of MgAlk (Alk = Li, Na, K, Rb, Cs). The Journal of Chemical Physics, 136 (8). 84311pp. doi:10.1063/1.3690459
Zhuravlev, Yu. N. (2022) Ab Initio Studies of the Influence of Pressure on the Structure and Electronic and Elastic Properties of Carbonates of Alkaline and Alkaline-Earth Metals. Physics of the Solid State, 64 (7) 405-415 doi:10.1134/s106378342208008x
Korabel’nikov, D. V., Zhuravlev, Yu. N., Aleinikova, M. V. (2012) Structure and electronic properties of the surface of alkali metal peroxides. Journal of Structural Chemistry, 53 (4) 639-644 doi:10.1134/s002247661204004x
Zhuravlev, Yu. N. (2025) Structural and Vibrational Properties of Calcium, Strontium, Barium, and Lead Borophosphates from First Principles. Journal of Structural Chemistry, 66 (6). doi:10.1134/s0022476625060095
Mubarak, A.A. (2014) Ab initio study of the structural, electronic and optical properties of the fluoropervskite SrXF3 (X=Li, Na, K and Rb) compounds. Computational Materials Science, 81. 478-482 doi:10.1016/j.commatsci.2013.08.055
Upadhyay, Deepak, Joshi, Nikunj, Pratap, Arun, Jha, Prafulla K. (2020) Comparative ab initio study of the structural, electronic, dynamical, and optical properties of group-I based CuMO2 (M = H, Li, Na, K, Rb) Journal of Applied Physics, 128 (15) 155701pp. doi:10.1063/5.0019961
 
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