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From Simple to Complex: Design of Inorganic Crystal Structures with a Topologically Extended Zintl–Klemm Concept.

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Combined DFT and geometrical–topological analysis of Li-ion conductivity in complex hydrides.

Valerio Gulino, Anna Wolczyk, Andrey A. Golov, Roman A. Eremin, Mauro Palumbo, Carlo Nervi, Vladislav A. Blatov, Davide M. Proserpio and Marcello Baricco Combined DFT and geometrical–topological analysis of Li-ion conductivity in complex hydrides. Inorganic Chemistry Frontiers, 2020, 7 (17), 3115–3125. doi: 10.1039/D0QI00577K IF 5.934

 
PUB20200402 2 апреля 2020 г. 
The CSD and knowledge databases: from answers to questions.

Alexander P. Shevchenko, Roman A. Eremin and Vladislav A. Blatov The CSD and knowledge databases: from answers to questions. CrystEngComm, 2020, 22 (43), 7298–7307. doi: 10.1039/D0CE00265H IF 3.382

 
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A new quasicrystal approximant in the Sc–Pd system: from topological data mining to the bench.

Pavlo Solokha, Roman A. Eremin, Tilmann Leisegang, Davide M. Proserpio, Tatiana Akhmetshina, Albina Gurskaya, Adriana Saccone, Serena De Negri A new quasicrystal approximant in the Sc–Pd system: from topological data mining to the bench. Chemistry of Materials, 2020, 32 (3), 1064–1079. doi: 10.1021/acs.chemmater.9b03767 IF 10.159

 
20200202-02 18 ноября 2019 г. 
Ionic Transport in Doped Solid Electrolytes by Means of DFT Modeling and ML Approaches: A Case Study of Ti-Doped KFeO2.

Roman A. Eremin, Pavel N. Zolotarev, Andrey A. Golov, Nadezhda A. Nekrasova, Tilmann Leisegang Ionic Transport in Doped Solid Electrolytes by Means of DFT Modeling and ML Approaches: A Case Study of Ti-Doped KFeO2. The Journal of Physical Chemistry C, 2019. doi: 10.1021/acs.jpcc.9b07535 IF 4.484

 
20191015-01 23 сентября 2019 г. 
Anisotropy of Elastic Properties of Metal–Organic Frameworks and the Breathing Phenomenon.

Eugeny V. Alexandrov, Andrey V. Goltsev, Roman A. Eremin, Vladislav A. Blatov Anisotropy of Elastic Properties of Metal–Organic Frameworks and the Breathing Phenomenon. The Journal of Physical Chemistry C, 2019, 123, 40, 24651-24658. doi: 10.1021/acs.jpcc.9b08434 IF 4.484

 
20190513-01 1 мая 2019 г. 
The Aluminum-Ion Battery: A Sustainable and Seminal Concept?.

Tilmann Leisegang, Falk Meutzner, Matthias Zschornak, Wolfram Münchgesang, Robert Schmid, Tina Nestler, Roman A. Eremin, Artem A. Kabanov, Vladislav A. Blatov and Dirk C. Meyer The Aluminum-Ion Battery: A Sustainable and Seminal Concept? Frontier in Chemistry, 2019. doi: 10.3389/fchem.2019.00268 IF 4.155

 
20181217-03 20 октября 2018 г. 
High-throughput search for potential potassium ion conductors: A combination of geometrical-topological and density functional theory approaches.

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RTP: Donna Bone, Maureen Murdock
jpccck 30 ноября 2017 г. 
Li(Ni,Co,Al)O2 Cathode Delithiation: A Combination of Topological Analysis, Density Functional Theory, Neutron Diffraction and Machine Learning Techniques.

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