Published: 30 November 2017

Roman A. Eremin, Pavel N. Zolotarev, Olga Yu. Ivanshina, and Ivan A. Bobrikov On the Li(Ni,Co,Al)O2 Cathode Delithiation: A Combination of Topological Analysis, Density Functional Theory, Neutron Diffraction and Machine Learning Techniques, The Journal of Physical Chemistry C, 2017. doi: 10.1021/acs.jpcc.7b09760 Read more... 



Published: 16 November 2017

20171116-05Stanislav S. Fedotov, Natalya A. Kabanova, Artem A. Kabanov, Vladislav A. Blatov, Nellie R. Khasanova, Evgeny V. Antipov Crystallochemical tools in the search for cathode materials of rechargeable Na-ion batteries and analysis of their transport properties. Solid State Ionics, 2017, (14 November). doi: 10.1016/j.ssi.2017.11.008 Read more... 



Published: 17 October 2017

20171112-01Oliviero Carugo, Olga A. Blatova, Elena O. Medrish, Vladislav A. Blatov & Davide M. Proserpio Packing topology in crystals of proteins and small molecules: a comparison. Scientific Reports, 2017, 7. doi:10.1038/s41598-017-12699-4 Read more... 



Published: 21 September 2017

no spine minimum. half size. Editor: Tamara Hanna  JEM: Esther
RTP: Bryan NolteShan-Shan Zhang, Xin Wang, Hai-Feng Su, Lei Feng, Zhi Wang, Wen-Qiang Ding, Vladislav A. Blatov, Mohamedally Kurmoo, Chen-Ho Tung, Di Sun, and Lan-Sun Zheng A Water-Stable Cl@Ag14 Cluster Based Metal−Organic Open Framework for Dichromate Trapping and Bacterial Inhibition. Inorganic Chemistry, 2017, 56 (19), 11891–11899. doi: 10.1021/acs.inorgchem.7b01879 Read more... 



Published: 21 September 2017

no spine minimum. half size. Editor: Tamara Hanna  JEM: Esther
RTP: Bryan NolteMahesh S. Deshmukh, Atul Chaudhary, Pavel N. Zolotarev, and Ramamoorthy Boomishankar A 3D Coordination Network Built from CuII4Cl3(H2O)2 Linear Clusters and Tetrapyridyl Tetrahedral Silane Ligands: Reversible Iodine Uptake and Friedel–Crafts Alkylation Reactions. Inorganic Chemistry, 2017, 56 (19), 11762–11767. doi: 10.1021/acs.inorgchem.7b01781 Read more... 



Published: 18 September 2017

20171018-01Riccardo Freccero, Pavlo Solokha, Davide M Proserpio, Adriana Saccone and Serena De Negri A new glance on the R2MGe6 (R = rare earth metal, M=another metal) compounds. An experimental and theoretical study of R2PdGe6 germanides. Dalton Transactions, 2017, 40, 14021-14033. doi:10.1039/C7DT02686B. Read more... 



Publications


14 December 2017
Webinar “New and undocumented features of ToposPro-TORIS” 

On Deсember 14, 2017 at 10:00 UTC (13:00 Moscow time) SCTMS conducted the webinar “New and undocumented features of ToposPro-TORIS”.




5 December 2017
Webinar “New and old ToposPro features, which probably you do not know III” 

On Deсember 5, 2017 at 10:00 UTC (13:00 Moscow time) SCTMS conducted the webinar "New and old ToposPro features, which probably you do not know III".




16 November 2017
Lecture “Non-covalent interactions with predominant electrostatic component: halogen, chalcogen, pnictogen and tetrel bonds. Searching for electronic criteria of pnictogen bonds in nitro compounds” 

On November 16, 2017 at 2 p.m. Dr. Ekaterina Bartashevich gave the lecture “Non-covalent interactions with predominant electrostatic component: halogen, chalcogen, pnictogen, tetrel bonds. Searching for electronic criteria of pnictogen bonds in nitro compounds” in SCTMS conference hall (1, Ak. Pavlov St.).




11 November 2017
Report “Development of new functional materials based on doped bismuth titanate with the pyrochlore type structure” 

On November 14, 2017 at 3 p.m. Aleksei Krasnov presented the report “Development of new functional materials based on doped bismuth titanate with the pyrochlore type structure” in the conference hall of SCTMS (1, Ak. Pavlov St.).




9 November 2017
Report “Pnictogen bonds in crystals of organic nitro compounds” 

On November 9, 2017 at 3:00 p.m. Sergei Sobalev presented the report “Pnictogen bonds in crystals of organic nitro compounds” in the conference hall of SCTMS (1, Ak. Pavlov St.).




16 October 2017
“Topological Methods in Materials Science” 

The International scientific school "Topological Methods in Materials Science" held from the 13th to 15th of October, 2017 in Langfang, China.




7 September 2017
Webinar “New and old ToposPro features, which probably you do not know II” 

On September 7, 2017at 10:00 UTC (13:00 Moscow time) SCTMS conducted the webinar "New and old ToposPro features, which probably you do not know II".




Archive


20171207-02
12 December 2017
Pavel Zolotarev presented his dissertation at PhD completion seminar 

On December 6, 2017, the meeting of the Department of Physical Chemistry and Chromatography and SCTMS was held. Pavel Zolotarev presented his PhD dissertation at the meeting.

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20171128-01
30 November 2017
The article of SCTMS researchers is among editors’ choices of CrystEngComm 

The official blog of CrystEngComm posted the message “Check out our editors’ choice of recent articles” with the list of the most significant articles over the last three years. The article of SCTMS researchers is included in the list.

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20171120-01
22 November 2017
Denis Yablokov’s report acclaimed as the best at NIT-2017 

Denis Yablokov, a researcher of SCTMS, came back from the Russian Scientific and Technical Conference of Students, Young Researchers and Specialists “New Information Technologies in Scientific Research” (NIT-2017) that was held in Ryazan on November 15-17, 2017.

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20171116-07
21 November 2017
Lecture “Non-covalent interactions with predominant electrostatic component: halogen, chalcogen, pnictogen, tetrel bonds. Searching for electronic criteria of pnictogen bonds in nitro compounds” 

On November 16, 2017 Dr. Ekaterina Bartashevich gave the lecture “Non-covalent interactions with predominant electrostatic component: halogen, chalcogen, pnictogen, tetrel bonds. Searching for electronic criteria of pnictogen bonds in nitro compounds”.

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20171115-01
16 November 2017
Alexei Krasnov’s report “Development of new functional materials based on doped bismuth titanate with the pyrochlore type structure” at SCTMS 

On November 14, 2017 Aleksei Krasnov, a researcher of the Laboratory of Ceramic Materials Science (Institute of Chemistry, Komi Science Center of UB RAS) gave the report “Development of new functional materials based on doped bismuth titanate with the pyrochlore type structure” within his internship at SCTMS.

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20171113-01
16 November 2017
Tatiana Akhmetshina is a prizewinner of the Contest “Student Award2017” 

Tatiana Akhmetshina, a laboratory assistant of Samara Center for Theoretical Materials Science, took part in Samara region contest in the field of professional education development “Student Award 2017” and won a prize “Intellect-2017”.

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